1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine

C12H25NOS — CID 115719753

IUPAC1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCC1(C)COC1
InChIInChI=1S/C12H25NOS/c1-10(6-15-11(2,3)4)13-7-12(5)8-14-9-12/h10,13H,6-9H2,1-5H3
InChIKeyYOQKWGNJFOCECV-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.53
Rot. Bonds5

About 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine

1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine (PubChem CID 115719753) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
PubChem CID115719753
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCC1(C)COC1
InChIInChI=1S/C12H25NOS/c1-10(6-15-11(2,3)4)13-7-12(5)8-14-9-12/h10,13H,6-9H2,1-5H3
InChIKeyYOQKWGNJFOCECV-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Methoxypropyl)tetrahydrothiophen-3-amine
CID 2849476
N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 61385843
N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine
CID 63857624
N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
CID 63857945
N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine
CID 126654289
N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2,2-dimethylpropan-1-amine
CID 146526513
N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-1-amine
CID 146640300
3-methoxypropyl-[(3S)-thiolan-3-yl]azanium
CID 2247129
(3S)-N-(3-methoxypropyl)thiolan-3-amine
CID 2247130
3-methoxypropyl-[(3R)-thiolan-3-yl]azanium
CID 2247131
(3R)-N-(3-methoxypropyl)thiolan-3-amine
CID 2247132
(3R)-N-(3-ethoxypropyl)thiolan-3-amine
CID 28486868

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine (CID 115719753) is 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine is CC(CSC(C)(C)C)NCC1(C)COC1.
What is the InChIKey of 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
The InChIKey is YOQKWGNJFOCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-10(6-15-11(2,3)4)13-7-12(5)8-14-9-12/h10,13H,6-9H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115719753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).