(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

C19H31N3O3S — CID 9398785

IUPAC(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(N)=O)CC1
InChIInChI=1S/C19H31N3O3S/c1-13-11-16(19(4,5)6)12-14(2)17(13)26(24,25)22-9-7-21(8-10-22)15(3)18(20)23/h11-12,15H,7-10H2,1-6H3,(H2,20,23)/t15-/m0/s1
InChIKeyLOOUUMBNEHZNHK-HNNXBMFYSA-N
MW381.54 g/mol
LogP1.78
Rot. Bonds4

About (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 9398785) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID9398785
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(N)=O)CC1
InChIInChI=1S/C19H31N3O3S/c1-13-11-16(19(4,5)6)12-14(2)17(13)26(24,25)22-9-7-21(8-10-22)15(3)18(20)23/h11-12,15H,7-10H2,1-6H3,(H2,20,23)/t15-/m0/s1
InChIKeyLOOUUMBNEHZNHK-HNNXBMFYSA-N
XLogP1.78
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9023346
2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750517
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 17482039
(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97029826
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 42887079
(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512610
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 60520699
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 129414986
1-(azepan-1-yl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 162670648
2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 9398805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 9398785) is (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(N)=O)CC1.
What is the InChIKey of (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is LOOUUMBNEHZNHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-13-11-16(19(4,5)6)12-14(2)17(13)26(24,25)22-9-7-21(8-10-22)15(3)18(20)23/h11-12,15H,7-10H2,1-6H3,(H2,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 381.54 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 9398785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).