1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide

C6H12ClNO4S2 — CID 130710681

IUPAC1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCC1C(NS(=O)(=O)CCl)CCS1(=O)=O
InChIInChI=1S/C6H12ClNO4S2/c1-5-6(2-3-13(5,9)10)8-14(11,12)4-7/h5-6,8H,2-4H2,1H3
InChIKeyRVNNQZOVXMRIDC-UHFFFAOYSA-N
MW261.75 g/mol
LogP-0.32
Rot. Bonds3

About 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide

1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide (PubChem CID 130710681) has the molecular formula C6H12ClNO4S2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
PubChem CID130710681
Molecular FormulaC6H12ClNO4S2
Molecular Weight261.75 g/mol
Exact Mass260.99
IUPAC Name1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCC1C(NS(=O)(=O)CCl)CCS1(=O)=O
InChIInChI=1S/C6H12ClNO4S2/c1-5-6(2-3-13(5,9)10)8-14(11,12)4-7/h5-6,8H,2-4H2,1H3
InChIKeyRVNNQZOVXMRIDC-UHFFFAOYSA-N
XLogP-0.32
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
CID 63663964
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 167913931
1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 127011592
N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 130676489
2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol
CID 131190739
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
CID 63665826
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
CID 63666165
1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
CID 130961479
1-methyl-3-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 130969391
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide (CID 130710681) is 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide is CC1C(NS(=O)(=O)CCl)CCS1(=O)=O.
What is the InChIKey of 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
The InChIKey is RVNNQZOVXMRIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO4S2/c1-5-6(2-3-13(5,9)10)8-14(11,12)4-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide has a molecular weight of 261.75 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide is sourced from PubChem (CID 130710681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).