N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H21N3O4S2 — CID 8785321

IUPACN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O4S2/c19-13-5-7-16-15(17-13)23-9-14(20)18(11-3-1-2-4-11)12-6-8-24(21,22)10-12/h5,7,11-12H,1-4,6,8-10H2,(H,16,17,19)/t12-/m0/s1
InChIKeyRBISAEKZAGXISM-LBPRGKRZSA-N
MW371.48 g/mol
LogP0.82
Rot. Bonds5

About N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 8785321) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID8785321
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O4S2/c19-13-5-7-16-15(17-13)23-9-14(20)18(11-3-1-2-4-11)12-6-8-24(21,22)10-12/h5,7,11-12H,1-4,6,8-10H2,(H,16,17,19)/t12-/m0/s1
InChIKeyRBISAEKZAGXISM-LBPRGKRZSA-N
XLogP0.82
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 8785321) is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is RBISAEKZAGXISM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c19-13-5-7-16-15(17-13)23-9-14(20)18(11-3-1-2-4-11)12-6-8-24(21,22)10-12/h5,7,11-12H,1-4,6,8-10H2,(H,16,17,19)/t12-/m0/s1.
What are the key properties of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 8785321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).