N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine

C10H19NO2S2 — CID 107269974

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
SMILESCSC1(CNC2CCCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S2/c1-14-10(4-5-10)8-11-9-3-2-6-15(12,13)7-9/h9,11H,2-8H2,1H3
InChIKeyWPEWKMLZVPXYAZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.05
Rot. Bonds4

About N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine

N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine (PubChem CID 107269974) has the molecular formula C10H19NO2S2 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
PubChem CID107269974
Molecular FormulaC10H19NO2S2
Molecular Weight249.40 g/mol
Exact Mass249.09
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
SMILESCSC1(CNC2CCCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S2/c1-14-10(4-5-10)8-11-9-3-2-6-15(12,13)7-9/h9,11H,2-8H2,1H3
InChIKeyWPEWKMLZVPXYAZ-UHFFFAOYSA-N
XLogP1.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
N-[(3,3-difluorocyclopentyl)methyl]-1,1-dioxothian-3-amine
CID 114150616
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755
N-nonyl-1,1-dioxothian-3-amine
CID 63923728
N-[(4-methylcyclohexyl)methyl]-1,1-dioxothian-3-amine
CID 63923240
N-(2,2-dimethoxyethyl)-1,1-dioxothian-3-amine
CID 63923418

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine (CID 107269974) is N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine is CSC1(CNC2CCCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine?
The InChIKey is WPEWKMLZVPXYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S2/c1-14-10(4-5-10)8-11-9-3-2-6-15(12,13)7-9/h9,11H,2-8H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine has a molecular weight of 249.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine is sourced from PubChem (CID 107269974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).