1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide

C12H26N2O2S — CID 114130293

IUPAC1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC1CCCC(C)C1
InChIInChI=1S/C12H26N2O2S/c1-3-12(8-13)17(15,16)14-9-11-6-4-5-10(2)7-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyMVJVPPNZMHISPM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.47
Rot. Bonds6

About 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide

1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide (PubChem CID 114130293) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide
PubChem CID114130293
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC1CCCC(C)C1
InChIInChI=1S/C12H26N2O2S/c1-3-12(8-13)17(15,16)14-9-11-6-4-5-10(2)7-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyMVJVPPNZMHISPM-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
N-[(3-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090843
N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 113481327
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 140917647
(3-methylcyclohexyl)methanamine
CID 18361468
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide
CID 80716199
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide?
The IUPAC name of 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide (CID 114130293) is 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide is CCC(CN)S(=O)(=O)NCC1CCCC(C)C1.
What is the InChIKey of 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide?
The InChIKey is MVJVPPNZMHISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-12(8-13)17(15,16)14-9-11-6-4-5-10(2)7-11/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide?
1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide is sourced from PubChem (CID 114130293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).