3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine

C13H20N2O2S — CID 79461145

IUPAC3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
SMILESCS(=O)(=O)c1ccc(CNC2CCC(N)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)13-6-2-10(3-7-13)9-15-12-5-4-11(14)8-12/h2-3,6-7,11-12,15H,4-5,8-9,14H2,1H3
InChIKeyDTWSYBAJNQSERD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.06
Rot. Bonds4

About 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine

3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine (PubChem CID 79461145) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
PubChem CID79461145
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
SMILESCS(=O)(=O)c1ccc(CNC2CCC(N)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)13-6-2-10(3-7-13)9-15-12-5-4-11(14)8-12/h2-3,6-7,11-12,15H,4-5,8-9,14H2,1H3
InChIKeyDTWSYBAJNQSERD-UHFFFAOYSA-N
XLogP1.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
(1S,3S,4R)-3,4-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]cyclohexan-1-amine
CID 99624768
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine (CID 79461145) is 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine is CS(=O)(=O)c1ccc(CNC2CCC(N)C2)cc1.
What is the InChIKey of 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine?
The InChIKey is DTWSYBAJNQSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)13-6-2-10(3-7-13)9-15-12-5-4-11(14)8-12/h2-3,6-7,11-12,15H,4-5,8-9,14H2,1H3.
What are the key properties of 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine?
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).