1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide

C11H24N2O2S2 — CID 106092399

IUPAC1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)C(C)CN)CCCCC1
InChIInChI=1S/C11H24N2O2S2/c1-10(8-12)17(14,15)13-9-11(16-2)6-4-3-5-7-11/h10,13H,3-9,12H2,1-2H3
InChIKeyTTYHWAVKRVEYEV-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.32
Rot. Bonds6

About 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide

1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide (PubChem CID 106092399) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
PubChem CID106092399
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)C(C)CN)CCCCC1
InChIInChI=1S/C11H24N2O2S2/c1-10(8-12)17(14,15)13-9-11(16-2)6-4-3-5-7-11/h10,13H,3-9,12H2,1-2H3
InChIKeyTTYHWAVKRVEYEV-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 114116050
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
CID 114142567
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
3-[(1-methylsulfanylcyclohexyl)methylsulfamoyl]propanoic acid
CID 114115836
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide
CID 112751639
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 104759974
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclopentyl)methyl]furan-3-sulfonamide
CID 106090522

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide (CID 106092399) is 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide is CSC1(CNS(=O)(=O)C(C)CN)CCCCC1.
What is the InChIKey of 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide?
The InChIKey is TTYHWAVKRVEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-10(8-12)17(14,15)13-9-11(16-2)6-4-3-5-7-11/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide?
1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide has a molecular weight of 280.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 106092399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).