N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide

C15H32N2O2S — CID 70939919

IUPACN-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNC1CCCCC1
InChIInChI=1S/C15H32N2O2S/c1-15(2,3)20(18,19)17-13-9-5-8-12-16-14-10-6-4-7-11-14/h14,16-17H,4-13H2,1-3H3
InChIKeyITHAHAHEMLCBHC-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.80
Rot. Bonds8

About N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide

N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939919) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
PubChem CID70939919
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNC1CCCCC1
InChIInChI=1S/C15H32N2O2S/c1-15(2,3)20(18,19)17-13-9-5-8-12-16-14-10-6-4-7-11-14/h14,16-17H,4-13H2,1-3H3
InChIKeyITHAHAHEMLCBHC-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3029604
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CID 58974848
N-dodecylcyclohexanamine
CID 3679395
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide
CID 10739550
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
N-(5-methoxypentyl)cyclooctanamine
CID 115714847

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide (CID 70939919) is N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNC1CCCCC1.
What is the InChIKey of N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is ITHAHAHEMLCBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-15(2,3)20(18,19)17-13-9-5-8-12-16-14-10-6-4-7-11-14/h14,16-17H,4-13H2,1-3H3.
What are the key properties of N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide?
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 304.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).