(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine

C15H25NOS — CID 58619475

IUPAC(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine
SMILESCC(C)O[C@H](CCN(C)C)CSc1ccccc1
InChIInChI=1S/C15H25NOS/c1-13(2)17-14(10-11-16(3)4)12-18-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyDBYYTICGWHSEBU-CQSZACIVSA-N
MW267.44 g/mol
LogP3.52
Rot. Bonds8

About (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine

(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine (PubChem CID 58619475) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine
PubChem CID58619475
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine
SMILESCC(C)O[C@H](CCN(C)C)CSc1ccccc1
InChIInChI=1S/C15H25NOS/c1-13(2)17-14(10-11-16(3)4)12-18-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyDBYYTICGWHSEBU-CQSZACIVSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine?
The IUPAC name of (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine (CID 58619475) is (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine?
The canonical SMILES for (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine is CC(C)O[C@H](CCN(C)C)CSc1ccccc1.
What is the InChIKey of (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine?
The InChIKey is DBYYTICGWHSEBU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25NOS/c1-13(2)17-14(10-11-16(3)4)12-18-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine?
(3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-4-phenylsulfanyl-3-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 58619475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).