1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine

C11H20N4O2S2 — CID 111331024

IUPAC1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCNS(C)(=O)=O)NC(C)c1cccs1
InChIInChI=1S/C11H20N4O2S2/c1-9(10-5-4-8-18-10)15-11(12-2)13-6-7-14-19(3,16)17/h4-5,8-9,14H,6-7H2,1-3H3,(H2,12,13,15)
InChIKeyNRCFGJDCFXBPDU-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.52
Rot. Bonds6

About 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine

1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine (PubChem CID 111331024) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
PubChem CID111331024
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCNS(C)(=O)=O)NC(C)c1cccs1
InChIInChI=1S/C11H20N4O2S2/c1-9(10-5-4-8-18-10)15-11(12-2)13-6-7-14-19(3,16)17/h4-5,8-9,14H,6-7H2,1-3H3,(H2,12,13,15)
InChIKeyNRCFGJDCFXBPDU-UHFFFAOYSA-N
XLogP0.52
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine
CID 75420963
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111501079
2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 75420962
2-methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111330997
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]guanidine
CID 111371659
1-[2-(2,3-difluorophenyl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111566702
N,N-dimethyl-3-[2-[[N'-methyl-N-(1-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111668256
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516314
2-methyl-1-[3-(oxan-4-yloxy)propyl]-3-(1-thiophen-2-ylethyl)guanidine
CID 111667254
1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111977410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine (CID 111331024) is 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine is C/N=C(\NCCNS(C)(=O)=O)NC(C)c1cccs1.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is NRCFGJDCFXBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-9(10-5-4-8-18-10)15-11(12-2)13-6-7-14-19(3,16)17/h4-5,8-9,14H,6-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine?
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 304.44 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111331024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).