N-(3-cyclohexylsulfonylpropyl)cyclohexanamine

C15H29NO2S — CID 106513012

IUPACN-(3-cyclohexylsulfonylpropyl)cyclohexanamine
SMILESO=S(=O)(CCCNC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c17-19(18,15-10-5-2-6-11-15)13-7-12-16-14-8-3-1-4-9-14/h14-16H,1-13H2
InChIKeyUMOGMFDGUKFUNJ-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.05
Rot. Bonds6

About N-(3-cyclohexylsulfonylpropyl)cyclohexanamine

N-(3-cyclohexylsulfonylpropyl)cyclohexanamine (PubChem CID 106513012) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(3-cyclohexylsulfonylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-cyclohexylsulfonylpropyl)cyclohexanamine
PubChem CID106513012
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-(3-cyclohexylsulfonylpropyl)cyclohexanamine
SMILESO=S(=O)(CCCNC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c17-19(18,15-10-5-2-6-11-15)13-7-12-16-14-8-3-1-4-9-14/h14-16H,1-13H2
InChIKeyUMOGMFDGUKFUNJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
4-(cyclohexylamino)butanal
CID 140677611
4-bromobutylsulfonylcyclohexane
CID 60872498
2-(cyclooctylamino)ethanesulfonate
CID 153294230
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
CID 105361362
3-(cyclohexylamino)propane-1-sulfonic acid;N,N-diethylethanamine
CID 87233170
undecylsulfonylcyclohexane
CID 151596280
heptylsulfonylcyclooctane
CID 134525047
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfonylpropyl)cyclohexanamine?
The IUPAC name of N-(3-cyclohexylsulfonylpropyl)cyclohexanamine (CID 106513012) is N-(3-cyclohexylsulfonylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-cyclohexylsulfonylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-cyclohexylsulfonylpropyl)cyclohexanamine is O=S(=O)(CCCNC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(3-cyclohexylsulfonylpropyl)cyclohexanamine?
The InChIKey is UMOGMFDGUKFUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c17-19(18,15-10-5-2-6-11-15)13-7-12-16-14-8-3-1-4-9-14/h14-16H,1-13H2.
What are the key properties of N-(3-cyclohexylsulfonylpropyl)cyclohexanamine?
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine has a molecular weight of 287.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfonylpropyl)cyclohexanamine is sourced from PubChem (CID 106513012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).