N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine

C9H17NS2 — CID 170900002

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
SMILESCSC1(CNC2CSC2)CCC1
InChIInChI=1S/C9H17NS2/c1-11-9(3-2-4-9)7-10-8-5-12-6-8/h8,10H,2-7H2,1H3
InChIKeyWFCRQIBCQNJBIT-UHFFFAOYSA-N
MW203.38 g/mol
LogP1.98
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine

N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine (PubChem CID 170900002) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
PubChem CID170900002
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
SMILESCSC1(CNC2CSC2)CCC1
InChIInChI=1S/C9H17NS2/c1-11-9(3-2-4-9)7-10-8-5-12-6-8/h8,10H,2-7H2,1H3
InChIKeyWFCRQIBCQNJBIT-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine (CID 170900002) is N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine is CSC1(CNC2CSC2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine?
The InChIKey is WFCRQIBCQNJBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-11-9(3-2-4-9)7-10-8-5-12-6-8/h8,10H,2-7H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine has a molecular weight of 203.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine is sourced from PubChem (CID 170900002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).