1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine

C17H28N4O2S — CID 111371659

IUPAC1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
SMILESC/N=C(\NCCNS(C)(=O)=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H28N4O2S/c1-13(15-9-8-14-6-4-5-7-16(14)12-15)21-17(18-2)19-10-11-20-24(3,22)23/h8-9,12-13,20H,4-7,10-11H2,1-3H3,(H2,18,19,21)
InChIKeyHRCFEVVVVYPKRM-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine

1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine (PubChem CID 111371659) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
PubChem CID111371659
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
SMILESC/N=C(\NCCNS(C)(=O)=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H28N4O2S/c1-13(15-9-8-14-6-4-5-7-16(14)12-15)21-17(18-2)19-10-11-20-24(3,22)23/h8-9,12-13,20H,4-7,10-11H2,1-3H3,(H2,18,19,21)
InChIKeyHRCFEVVVVYPKRM-UHFFFAOYSA-N
XLogP1.34
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111331024
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
2-methyl-1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
CID 111518069
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine;hydroiodide
CID 111518048
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111371685
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
1-[2-(methanesulfonamido)ethyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine
CID 111641126
2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111371698
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine (CID 111371659) is 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine is C/N=C(\NCCNS(C)(=O)=O)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine?
The InChIKey is HRCFEVVVVYPKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(15-9-8-14-6-4-5-7-16(14)12-15)21-17(18-2)19-10-11-20-24(3,22)23/h8-9,12-13,20H,4-7,10-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine?
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine has a molecular weight of 352.50 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine is sourced from PubChem (CID 111371659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).