N-(thian-4-ylmethyl)propan-2-amine

C9H19NS — CID 58786892

IUPACN-(thian-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCSCC1
InChIInChI=1S/C9H19NS/c1-8(2)10-7-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyPUDFNFVUFVINIH-UHFFFAOYSA-N
MW173.33 g/mol
LogP2.13
Rot. Bonds3

About N-(thian-4-ylmethyl)propan-2-amine

N-(thian-4-ylmethyl)propan-2-amine (PubChem CID 58786892) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)propan-2-amine
PubChem CID58786892
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC NameN-(thian-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCSCC1
InChIInChI=1S/C9H19NS/c1-8(2)10-7-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyPUDFNFVUFVINIH-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thian-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(thian-4-ylmethyl)propan-2-amine (CID 58786892) is N-(thian-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(thian-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(thian-4-ylmethyl)propan-2-amine is CC(C)NCC1CCSCC1.
What is the InChIKey of N-(thian-4-ylmethyl)propan-2-amine?
The InChIKey is PUDFNFVUFVINIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)10-7-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(thian-4-ylmethyl)propan-2-amine?
N-(thian-4-ylmethyl)propan-2-amine has a molecular weight of 173.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 58786892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).