2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide

C14H24N2O4S — CID 164630915

IUPAC2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide
SMILESCN1C(=O)CC[C@H](NS(=O)(=O)CCC2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O4S/c1-16-13(17)8-7-12(14(16)18)15-21(19,20)10-9-11-5-3-2-4-6-11/h11-12,15H,2-10H2,1H3/t12-/m0/s1
InChIKeyWPRMHALRNIXZIO-LBPRGKRZSA-N
MW316.42 g/mol
LogP1.02
Rot. Bonds5

About 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide

2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide (PubChem CID 164630915) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide
PubChem CID164630915
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide
SMILESCN1C(=O)CC[C@H](NS(=O)(=O)CCC2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O4S/c1-16-13(17)8-7-12(14(16)18)15-21(19,20)10-9-11-5-3-2-4-6-11/h11-12,15H,2-10H2,1H3/t12-/m0/s1
InChIKeyWPRMHALRNIXZIO-LBPRGKRZSA-N
XLogP1.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(cyclohexylsulfonylamino)-4-methylpentanamide
CID 164544272
N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide
CID 67393561
N-{trans-4-[(4-isopropylpiperazin-1-yl)carbonyl]cyclohexyl}propane-1-sulfonamide
CID 67393920
1-(Cyclohexylmethylsulfonyl)-6-propyl-3-(sulfanylmethyl)piperazine-2,5-dione
CID 88384819
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(cyclohexylsulfonylamino)acetamide;2-methylpropane;molecular hydrogen
CID 164544469
(2S,3S)-2-amino-3-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 28270223
(2S)-2-amino-4-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 28270270
N-[1-(4-ethylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 49601270
2-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylcyclohexyl)propanamide
CID 49610087
2-(4-ethylsulfonylpiperazin-1-yl)-N-(2-methylcyclohexyl)propanamide
CID 49610850
2-(4-acetylpiperazin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 53564132
2-[(2-cyclohexylacetyl)amino]-N-propan-2-ylsulfonylpropanamide
CID 53612912

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide (CID 164630915) is 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide is CN1C(=O)CC[C@H](NS(=O)(=O)CCC2CCCCC2)C1=O.
What is the InChIKey of 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide?
The InChIKey is WPRMHALRNIXZIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-16-13(17)8-7-12(14(16)18)15-21(19,20)10-9-11-5-3-2-4-6-11/h11-12,15H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide?
2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 164630915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).