N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine

C9H17NO2S — CID 130635070

IUPACN-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
SMILESCC1(CNC2CS(=O)(=O)C2)CCC1
InChIInChI=1S/C9H17NO2S/c1-9(3-2-4-9)7-10-8-5-13(11,12)6-8/h8,10H,2-7H2,1H3
InChIKeyTYNREPBJLBKRPR-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds3

About N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine

N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine (PubChem CID 130635070) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
PubChem CID130635070
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
SMILESCC1(CNC2CS(=O)(=O)C2)CCC1
InChIInChI=1S/C9H17NO2S/c1-9(3-2-4-9)7-10-8-5-13(11,12)6-8/h8,10H,2-7H2,1H3
InChIKeyTYNREPBJLBKRPR-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 127014969
1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
CID 155487558
4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130601573
2,2,3,3-tetramethyl-N-[(1-methylcyclobutyl)methyl]cyclopropan-1-amine
CID 130601051
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419
N-[(1-methylcyclopentyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561937
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
N-[(1-methylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925158
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine (CID 130635070) is N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine is CC1(CNC2CS(=O)(=O)C2)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine?
The InChIKey is TYNREPBJLBKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(3-2-4-9)7-10-8-5-13(11,12)6-8/h8,10H,2-7H2,1H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine?
N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine has a molecular weight of 203.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine is sourced from PubChem (CID 130635070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).