2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone

C19H29N3O3S — CID 119680778

IUPAC2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNCC3CC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-15(2)17-5-7-18(8-6-17)26(24,25)22-11-9-21(10-12-22)19(23)14-20-13-16-3-4-16/h5-8,15-16,20H,3-4,9-14H2,1-2H3
InChIKeyDWPRYACATLNQFG-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.64
Rot. Bonds7

About 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone

2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 119680778) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID119680778
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNCC3CC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-15(2)17-5-7-18(8-6-17)26(24,25)22-11-9-21(10-12-22)19(23)14-20-13-16-3-4-16/h5-8,15-16,20H,3-4,9-14H2,1-2H3
InChIKeyDWPRYACATLNQFG-UHFFFAOYSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678690
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9426519
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
3-methyl-5-oxo-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid
CID 6469150
2-(4-methoxyphenyl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24686573
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17377415
1-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796726
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902944
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
1-adamantyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26063053

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 119680778) is 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNCC3CC3)CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is DWPRYACATLNQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15(2)17-5-7-18(8-6-17)26(24,25)22-11-9-21(10-12-22)19(23)14-20-13-16-3-4-16/h5-8,15-16,20H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 379.53 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 119680778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).