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

C12H25NS — CID 169307316

IUPACN-methyl-N-(thiocan-3-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCCSC1
InChIInChI=1S/C12H25NS/c1-3-8-13(2)10-12-7-5-4-6-9-14-11-12/h12H,3-11H2,1-2H3
InChIKeyQUMRUGVBBDEMQG-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds4

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

N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine (PubChem CID 169307316) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(thiocan-3-ylmethyl)propan-1-amine
PubChem CID169307316
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-methyl-N-(thiocan-3-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCCSC1
InChIInChI=1S/C12H25NS/c1-3-8-13(2)10-12-7-5-4-6-9-14-11-12/h12H,3-11H2,1-2H3
InChIKeyQUMRUGVBBDEMQG-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine (CID 169307316) is N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine is CCCN(C)CC1CCCCCSC1.
What is the InChIKey of N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine?
The InChIKey is QUMRUGVBBDEMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-8-13(2)10-12-7-5-4-6-9-14-11-12/h12H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine?
N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiocan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 169307316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).