N-(3-methyl-1,1-dioxothiolan-3-yl)formamide

C6H11NO3S — CID 64991072

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)formamide
SMILESCC1(NC=O)CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c1-6(7-5-8)2-3-11(9,10)4-6/h5H,2-4H2,1H3,(H,7,8)
InChIKeyCPTCNYCQZSLCPN-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.69
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)formamide

N-(3-methyl-1,1-dioxothiolan-3-yl)formamide (PubChem CID 64991072) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)formamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)formamide
PubChem CID64991072
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)formamide
SMILESCC1(NC=O)CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c1-6(7-5-8)2-3-11(9,10)4-6/h5H,2-4H2,1H3,(H,7,8)
InChIKeyCPTCNYCQZSLCPN-UHFFFAOYSA-N
XLogP-0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3-(methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 18559021
3-Methyl-3-(methylamino)thiolane-1,1-dione
CID 3113017
N,3-dimethyltetrahydrothiophen-3-aminium 1,1-dioxide
CID 3848874
N,3-dimethyltetrahydrothiophen-3-aminium 1,1-dioxide chloride
CID 16896470
N-(1,1-dioxidotetrahydrothiophen-3-yl)formamide
CID 3674810
N-[(1,1-dioxothiolan-3-yl)methyl]formamide
CID 57038922
N-(4-methyl-1,1-dioxothian-4-yl)formamide
CID 88855243
methyl-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7039214
(3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine
CID 7039215
N-[(3S)-1,1-dioxothiolan-3-yl]formamide
CID 7059064
N-[(3R)-1,1-dioxothiolan-3-yl]formamide
CID 7059065
methyl-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059119

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)formamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)formamide (CID 64991072) is N-(3-methyl-1,1-dioxothiolan-3-yl)formamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)formamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)formamide is CC1(NC=O)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)formamide?
The InChIKey is CPTCNYCQZSLCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-6(7-5-8)2-3-11(9,10)4-6/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)formamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)formamide has a molecular weight of 177.22 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)formamide is sourced from PubChem (CID 64991072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).