N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide

C14H30N2O2S — CID 103521907

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-13(2,3)9-10-19(17,18)16-12-14(11-15)7-5-4-6-8-14/h16H,4-12,15H2,1-3H3
InChIKeyPNGURMXKABKMDP-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.25
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521907) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521907
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-13(2,3)9-10-19(17,18)16-12-14(11-15)7-5-4-6-8-14/h16H,4-12,15H2,1-3H3
InChIKeyPNGURMXKABKMDP-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521907) is N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is PNGURMXKABKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2,3)9-10-19(17,18)16-12-14(11-15)7-5-4-6-8-14/h16H,4-12,15H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).