[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C17H27ClN2O2S — CID 119971791

IUPAC[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C17H26N2O2S.ClH/c18-12-14-10-11-19(13-14)22(20,21)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h6-9,14-15H,1-5,10-13,18H2;1H
InChIKeyJGRWOGLPPXPBJA-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.13
Rot. Bonds4

About [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119971791) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119971791
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC Name[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C17H26N2O2S.ClH/c18-12-14-10-11-19(13-14)22(20,21)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h6-9,14-15H,1-5,10-13,18H2;1H
InChIKeyJGRWOGLPPXPBJA-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
1-(4-cyclohexylphenyl)sulfonylazetidin-3-amine
CID 65244291
[1-(4-cyclohexylphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582148
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119971791) is [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is JGRWOGLPPXPBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c18-12-14-10-11-19(13-14)22(20,21)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h6-9,14-15H,1-5,10-13,18H2;1H.
What are the key properties of [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119971791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).