3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide

C12H26N2O2S — CID 112698301

IUPAC3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
SMILESCN(CCCS(N)(=O)=O)C1CCC(C)(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-12(2)7-5-11(6-8-12)14(3)9-4-10-17(13,15)16/h11H,4-10H2,1-3H3,(H2,13,15,16)
InChIKeyKNPFBKBUWLUYJU-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.57
Rot. Bonds5

About 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide

3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide (PubChem CID 112698301) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
PubChem CID112698301
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
SMILESCN(CCCS(N)(=O)=O)C1CCC(C)(C)CC1
InChIInChI=1S/C12H26N2O2S/c1-12(2)7-5-11(6-8-12)14(3)9-4-10-17(13,15)16/h11H,4-10H2,1-3H3,(H2,13,15,16)
InChIKeyKNPFBKBUWLUYJU-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
CID 105343835
2-[methyl(piperidin-4-yl)amino]ethanesulfonamide
CID 114385433
N-(2-iodoethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 130667135
3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
CID 115778229
3-[cyclohexyl(methyl)amino]propane-1-sulfonate
CID 153294171
2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
CID 114384646
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
CID 112698309
1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
CID 79123111
3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
CID 154747968
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
3-[methyl-[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]propan-1-ol
CID 111381524

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide (CID 112698301) is 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide is CN(CCCS(N)(=O)=O)C1CCC(C)(C)CC1.
What is the InChIKey of 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide?
The InChIKey is KNPFBKBUWLUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2)7-5-11(6-8-12)14(3)9-4-10-17(13,15)16/h11H,4-10H2,1-3H3,(H2,13,15,16).
What are the key properties of 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide?
3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide is sourced from PubChem (CID 112698301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).