(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine

C15H20ClNO4S2 — CID 20898028

IUPAC(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)C[C@H](NC2CCCC2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO4S2/c16-11-5-7-13(8-6-11)23(20,21)15-10-22(18,19)9-14(15)17-12-3-1-2-4-12/h5-8,12,14-15,17H,1-4,9-10H2/t14-,15-/m0/s1
InChIKeyHSWMOCKQWPGGMN-GJZGRUSLSA-N
MW377.92 g/mol
LogP1.81
Rot. Bonds4

About (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine

(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine (PubChem CID 20898028) has the molecular formula C15H20ClNO4S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine
PubChem CID20898028
Molecular FormulaC15H20ClNO4S2
Molecular Weight377.92 g/mol
Exact Mass377.05
IUPAC Name(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)C[C@H](NC2CCCC2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO4S2/c16-11-5-7-13(8-6-11)23(20,21)15-10-22(18,19)9-14(15)17-12-3-1-2-4-12/h5-8,12,14-15,17H,1-4,9-10H2/t14-,15-/m0/s1
InChIKeyHSWMOCKQWPGGMN-GJZGRUSLSA-N
XLogP1.81
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine (CID 20898028) is (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine is O=S1(=O)C[C@H](NC2CCCC2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine?
The InChIKey is HSWMOCKQWPGGMN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20ClNO4S2/c16-11-5-7-13(8-6-11)23(20,21)15-10-22(18,19)9-14(15)17-12-3-1-2-4-12/h5-8,12,14-15,17H,1-4,9-10H2/t14-,15-/m0/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine?
(3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine has a molecular weight of 377.92 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-chlorophenyl)sulfonyl-N-cyclopentyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 20898028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).