N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine

C10H19NS — CID 84660281

IUPACN-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine
SMILESCNC1(CC2CCCSC2)CC1
InChIInChI=1S/C10H19NS/c1-11-10(4-5-10)7-9-3-2-6-12-8-9/h9,11H,2-8H2,1H3
InChIKeyUHYAILJWOJJNEC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds3

About N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine

N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine (PubChem CID 84660281) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine
PubChem CID84660281
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine
SMILESCNC1(CC2CCCSC2)CC1
InChIInChI=1S/C10H19NS/c1-11-10(4-5-10)7-9-3-2-6-12-8-9/h9,11H,2-8H2,1H3
InChIKeyUHYAILJWOJJNEC-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine?
The IUPAC name of N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine (CID 84660281) is N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine is CNC1(CC2CCCSC2)CC1.
What is the InChIKey of N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine?
The InChIKey is UHYAILJWOJJNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-11-10(4-5-10)7-9-3-2-6-12-8-9/h9,11H,2-8H2,1H3.
What are the key properties of N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine?
N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-3-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 84660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).