N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine

C15H29NOS — CID 115906102

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine
SMILESCC(C)COC1CC(NC2CCCSC2)C1(C)C
InChIInChI=1S/C15H29NOS/c1-11(2)9-17-14-8-13(15(14,3)4)16-12-6-5-7-18-10-12/h11-14,16H,5-10H2,1-4H3
InChIKeyNOFVCQQZJGCVND-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.31
Rot. Bonds5

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine (PubChem CID 115906102) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine
PubChem CID115906102
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine
SMILESCC(C)COC1CC(NC2CCCSC2)C1(C)C
InChIInChI=1S/C15H29NOS/c1-11(2)9-17-14-8-13(15(14,3)4)16-12-6-5-7-18-10-12/h11-14,16H,5-10H2,1-4H3
InChIKeyNOFVCQQZJGCVND-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine (CID 115906102) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine is CC(C)COC1CC(NC2CCCSC2)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine?
The InChIKey is NOFVCQQZJGCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-11(2)9-17-14-8-13(15(14,3)4)16-12-6-5-7-18-10-12/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine has a molecular weight of 271.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thian-3-amine is sourced from PubChem (CID 115906102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).