N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine

C17H29N3O2S — CID 26326227

IUPACN'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H29N3O2S/c1-18(2)12-8-13-19(3)16-9-7-14-20(15-16)23(21,22)17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3/t16-/m0/s1
InChIKeyZBGGVWLLDUVGKU-INIZCTEOSA-N
MW339.50 g/mol
LogP1.72
Rot. Bonds7

About N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 26326227) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID26326227
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H29N3O2S/c1-18(2)12-8-13-19(3)16-9-7-14-20(15-16)23(21,22)17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3/t16-/m0/s1
InChIKeyZBGGVWLLDUVGKU-INIZCTEOSA-N
XLogP1.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 45217946
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 45221142
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-amine
CID 42381221
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 42244156
tert-butyl 2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetate
CID 52525411

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 26326227) is N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is ZBGGVWLLDUVGKU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-18(2)12-8-13-19(3)16-9-7-14-20(15-16)23(21,22)17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3/t16-/m0/s1.
What are the key properties of N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 339.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 26326227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).