N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine

C12H25NS — CID 163258099

IUPACN-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCSCC1)C(C)C
InChIInChI=1S/C12H25NS/c1-4-7-13(11(2)3)10-12-5-8-14-9-6-12/h11-12H,4-10H2,1-3H3
InChIKeyLEGOQSDOUHQICR-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds5

About N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine

N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine (PubChem CID 163258099) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine
PubChem CID163258099
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCSCC1)C(C)C
InChIInChI=1S/C12H25NS/c1-4-7-13(11(2)3)10-12-5-8-14-9-6-12/h11-12H,4-10H2,1-3H3
InChIKeyLEGOQSDOUHQICR-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine?
The IUPAC name of N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine (CID 163258099) is N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine is CCCN(CC1CCSCC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine?
The InChIKey is LEGOQSDOUHQICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-7-13(11(2)3)10-12-5-8-14-9-6-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine?
N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(thian-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 163258099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).