N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine

C9H19NS — CID 169307309

IUPACN-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCSC1
InChIInChI=1S/C9H19NS/c1-3-5-10(2)7-9-4-6-11-8-9/h9H,3-8H2,1-2H3
InChIKeyATJHIUNOUIROBM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds4

About N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine

N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine (PubChem CID 169307309) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
PubChem CID169307309
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCSC1
InChIInChI=1S/C9H19NS/c1-3-5-10(2)7-9-4-6-11-8-9/h9H,3-8H2,1-2H3
InChIKeyATJHIUNOUIROBM-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine (CID 169307309) is N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine is CCCN(C)CC1CCSC1.
What is the InChIKey of N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The InChIKey is ATJHIUNOUIROBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-10(2)7-9-4-6-11-8-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine?
N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 169307309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).