2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine

C11H23NS — CID 135393110

IUPAC2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine
SMILESCCC(C)C(C)NC1CSC1(C)C
InChIInChI=1S/C11H23NS/c1-6-8(2)9(3)12-10-7-13-11(10,4)5/h8-10,12H,6-7H2,1-5H3
InChIKeyKQVTXCFLHNCHLF-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.90
Rot. Bonds4

About 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine

2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine (PubChem CID 135393110) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine
PubChem CID135393110
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine
SMILESCCC(C)C(C)NC1CSC1(C)C
InChIInChI=1S/C11H23NS/c1-6-8(2)9(3)12-10-7-13-11(10,4)5/h8-10,12H,6-7H2,1-5H3
InChIKeyKQVTXCFLHNCHLF-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine (CID 135393110) is 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine is CCC(C)C(C)NC1CSC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine?
The InChIKey is KQVTXCFLHNCHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-8(2)9(3)12-10-7-13-11(10,4)5/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine?
2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine has a molecular weight of 201.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylpentan-2-yl)thietan-3-amine is sourced from PubChem (CID 135393110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).