[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone

C19H29N3O3S — CID 119467046

IUPAC[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
SMILESNCC1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c20-15-17-9-3-6-13-22(17)19(23)16-8-7-10-18(14-16)26(24,25)21-11-4-1-2-5-12-21/h7-8,10,14,17H,1-6,9,11-13,15,20H2
InChIKeyNDASZJJIXOEENI-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.20
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone

[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone (PubChem CID 119467046) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
PubChem CID119467046
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
SMILESNCC1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c20-15-17-9-3-6-13-22(17)19(23)16-8-7-10-18(14-16)26(24,25)21-11-4-1-2-5-12-21/h7-8,10,14,17H,1-6,9,11-13,15,20H2
InChIKeyNDASZJJIXOEENI-UHFFFAOYSA-N
XLogP2.20
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
[2-(1-aminoethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone;hydrochloride
CID 119435274
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
4-[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 167802193
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110614017
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone (CID 119467046) is [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone is NCC1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone?
The InChIKey is NDASZJJIXOEENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c20-15-17-9-3-6-13-22(17)19(23)16-8-7-10-18(14-16)26(24,25)21-11-4-1-2-5-12-21/h7-8,10,14,17H,1-6,9,11-13,15,20H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone has a molecular weight of 379.53 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone is sourced from PubChem (CID 119467046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).