N-propyl-N-(thietan-3-ylmethyl)butan-2-amine

C11H23NS — CID 163258825

IUPACN-propyl-N-(thietan-3-ylmethyl)butan-2-amine
SMILESCCCN(CC1CSC1)C(C)CC
InChIInChI=1S/C11H23NS/c1-4-6-12(10(3)5-2)7-11-8-13-9-11/h10-11H,4-9H2,1-3H3
InChIKeyCMPUCPHNQAGLDX-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds6

About N-propyl-N-(thietan-3-ylmethyl)butan-2-amine

N-propyl-N-(thietan-3-ylmethyl)butan-2-amine (PubChem CID 163258825) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-propyl-N-(thietan-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-N-(thietan-3-ylmethyl)butan-2-amine
PubChem CID163258825
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-propyl-N-(thietan-3-ylmethyl)butan-2-amine
SMILESCCCN(CC1CSC1)C(C)CC
InChIInChI=1S/C11H23NS/c1-4-6-12(10(3)5-2)7-11-8-13-9-11/h10-11H,4-9H2,1-3H3
InChIKeyCMPUCPHNQAGLDX-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(thietan-3-ylmethyl)butan-2-amine?
The IUPAC name of N-propyl-N-(thietan-3-ylmethyl)butan-2-amine (CID 163258825) is N-propyl-N-(thietan-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-propyl-N-(thietan-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-propyl-N-(thietan-3-ylmethyl)butan-2-amine is CCCN(CC1CSC1)C(C)CC.
What is the InChIKey of N-propyl-N-(thietan-3-ylmethyl)butan-2-amine?
The InChIKey is CMPUCPHNQAGLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-6-12(10(3)5-2)7-11-8-13-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-propyl-N-(thietan-3-ylmethyl)butan-2-amine?
N-propyl-N-(thietan-3-ylmethyl)butan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(thietan-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 163258825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).