N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine

C9H17NO2S2 — CID 127014969

IUPACN-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine
SMILESCC1(CNC2CS(=O)(=O)C2)CCCS1
InChIInChI=1S/C9H17NO2S2/c1-9(3-2-4-13-9)7-10-8-5-14(11,12)6-8/h8,10H,2-7H2,1H3
InChIKeyYHNIMDOOVKJBKP-UHFFFAOYSA-N
MW235.37 g/mol
LogP0.66
Rot. Bonds3

About N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine

N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine (PubChem CID 127014969) has the molecular formula C9H17NO2S2 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine
PubChem CID127014969
Molecular FormulaC9H17NO2S2
Molecular Weight235.37 g/mol
Exact Mass235.07
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine
SMILESCC1(CNC2CS(=O)(=O)C2)CCCS1
InChIInChI=1S/C9H17NO2S2/c1-9(3-2-4-13-9)7-10-8-5-14(11,12)6-8/h8,10H,2-7H2,1H3
InChIKeyYHNIMDOOVKJBKP-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine with MolForge

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Related Compounds

1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
CID 130727910
N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
CID 130635070
1-[(3R)-1,1-dioxothian-3-yl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97306096
N-[(2-methylthiolan-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 80723573
1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
CID 155487558
N-[(2-methylthiolan-2-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 80528637
2,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclohexan-1-amine
CID 80722862
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
N-[(2-methylthiolan-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80722664
tert-butyl N-[3-[(2-methylthiolan-2-yl)methylamino]cyclohexyl]carbamate
CID 103772236
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine (CID 127014969) is N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine is CC1(CNC2CS(=O)(=O)C2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine?
The InChIKey is YHNIMDOOVKJBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S2/c1-9(3-2-4-13-9)7-10-8-5-14(11,12)6-8/h8,10H,2-7H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine?
N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine is sourced from PubChem (CID 127014969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).