1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine

C19H30N4O2S — CID 175831489

IUPAC1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(CN3CCC4(CC3)CNC4)cc2)C1
InChIInChI=1S/C19H30N4O2S/c20-17-2-1-9-23(13-17)26(24,25)18-5-3-16(4-6-18)12-22-10-7-19(8-11-22)14-21-15-19/h3-6,17,21H,1-2,7-15,20H2
InChIKeyNREQUMXVTCFDMZ-UHFFFAOYSA-N
MW378.54 g/mol
LogP0.98
Rot. Bonds4

About 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine

1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine (PubChem CID 175831489) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine
PubChem CID175831489
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(CN3CCC4(CC3)CNC4)cc2)C1
InChIInChI=1S/C19H30N4O2S/c20-17-2-1-9-23(13-17)26(24,25)18-5-3-16(4-6-18)12-22-10-7-19(8-11-22)14-21-15-19/h3-6,17,21H,1-2,7-15,20H2
InChIKeyNREQUMXVTCFDMZ-UHFFFAOYSA-N
XLogP0.98
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
2-[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 165180543
4-(3-aminopiperidin-1-yl)sulfonyl-2-chlorobenzoic acid
CID 107090004
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine?
The IUPAC name of 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine (CID 175831489) is 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine?
The canonical SMILES for 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine is NC1CCCN(S(=O)(=O)c2ccc(CN3CCC4(CC3)CNC4)cc2)C1.
What is the InChIKey of 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine?
The InChIKey is NREQUMXVTCFDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c20-17-2-1-9-23(13-17)26(24,25)18-5-3-16(4-6-18)12-22-10-7-19(8-11-22)14-21-15-19/h3-6,17,21H,1-2,7-15,20H2.
What are the key properties of 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine?
1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine has a molecular weight of 378.54 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine is sourced from PubChem (CID 175831489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).