5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide

C10H18ClNO3S — CID 43697288

IUPAC5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
SMILESCC1(NC(=O)CCCCCl)CCS(=O)(=O)C1
InChIInChI=1S/C10H18ClNO3S/c1-10(5-7-16(14,15)8-10)12-9(13)4-2-3-6-11/h2-8H2,1H3,(H,12,13)
InChIKeyKGLTWBAYNZJYTO-UHFFFAOYSA-N
MW267.78 g/mol
LogP1.09
Rot. Bonds5

About 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide

5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide (PubChem CID 43697288) has the molecular formula C10H18ClNO3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
PubChem CID43697288
Molecular FormulaC10H18ClNO3S
Molecular Weight267.78 g/mol
Exact Mass267.07
IUPAC Name5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
SMILESCC1(NC(=O)CCCCCl)CCS(=O)(=O)C1
InChIInChI=1S/C10H18ClNO3S/c1-10(5-7-16(14,15)8-10)12-9(13)4-2-3-6-11/h2-8H2,1H3,(H,12,13)
InChIKeyKGLTWBAYNZJYTO-UHFFFAOYSA-N
XLogP1.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
CID 82848148
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
4-(4-ethoxyphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8849501
4-(4-tert-butylphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8571377
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 66128070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide?
The IUPAC name of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide (CID 43697288) is 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide is CC1(NC(=O)CCCCCl)CCS(=O)(=O)C1.
What is the InChIKey of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide?
The InChIKey is KGLTWBAYNZJYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3S/c1-10(5-7-16(14,15)8-10)12-9(13)4-2-3-6-11/h2-8H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide?
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide has a molecular weight of 267.78 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide is sourced from PubChem (CID 43697288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).