1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine

C12H26N4O2S — CID 111779531

IUPAC1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC(C)(C)NS(C)(=O)=O)NC1CCCC1
InChIInChI=1S/C12H26N4O2S/c1-12(2,16-19(4,17)18)9-14-11(13-3)15-10-7-5-6-8-10/h10,16H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyMGJACPPCDZHQCO-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.42
Rot. Bonds5

About 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine

1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine (PubChem CID 111779531) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
PubChem CID111779531
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC(C)(C)NS(C)(=O)=O)NC1CCCC1
InChIInChI=1S/C12H26N4O2S/c1-12(2,16-19(4,17)18)9-14-11(13-3)15-10-7-5-6-8-10/h10,16H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyMGJACPPCDZHQCO-UHFFFAOYSA-N
XLogP0.42
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111966589
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111784313
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111780415
1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111790988
1-(2-tert-butylsulfonylethyl)-3-cyclohexyl-2-methylguanidine
CID 111573769
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111783505
1-cyclohexyl-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 110958449
1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 110990818
1-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111779047
1-cyclohexyl-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 110958583
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111787580
1-cyclohexyl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111493143

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine (CID 111779531) is 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine is C/N=C(\NCC(C)(C)NS(C)(=O)=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine?
The InChIKey is MGJACPPCDZHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-12(2,16-19(4,17)18)9-14-11(13-3)15-10-7-5-6-8-10/h10,16H,5-9H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine has a molecular weight of 290.43 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine is sourced from PubChem (CID 111779531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).