(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C20H31N3O3S — CID 119266651

IUPAC(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-16(2)17-6-8-18(9-7-17)27(25,26)23-14-12-22(13-15-23)19(24)20(21)10-4-3-5-11-20/h6-9,16H,3-5,10-15,21H2,1-2H3
InChIKeyDHTXFQNONMIYKH-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.30
Rot. Bonds4

About (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 119266651) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID119266651
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-16(2)17-6-8-18(9-7-17)27(25,26)23-14-12-22(13-15-23)19(24)20(21)10-4-3-5-11-20/h6-9,16H,3-5,10-15,21H2,1-2H3
InChIKeyDHTXFQNONMIYKH-UHFFFAOYSA-N
XLogP2.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265567
(1-aminocyclohexyl)-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methanone
CID 119302953
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-adamantyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26063053
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
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

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 119266651) is (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CCCCC3)CC2)cc1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is DHTXFQNONMIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16(2)17-6-8-18(9-7-17)27(25,26)23-14-12-22(13-15-23)19(24)20(21)10-4-3-5-11-20/h6-9,16H,3-5,10-15,21H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 393.55 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 119266651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).