1-[methyl(oxetan-3-yl)amino]propane-1-thiol

C7H15NOS — CID 134422991

IUPAC1-[methyl(oxetan-3-yl)amino]propane-1-thiol
SMILESCCC(S)N(C)C1COC1
InChIInChI=1S/C7H15NOS/c1-3-7(10)8(2)6-4-9-5-6/h6-7,10H,3-5H2,1-2H3
InChIKeyFIKOWUDFDHPWDK-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.98
Rot. Bonds3

About 1-[methyl(oxetan-3-yl)amino]propane-1-thiol

1-[methyl(oxetan-3-yl)amino]propane-1-thiol (PubChem CID 134422991) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-[methyl(oxetan-3-yl)amino]propane-1-thiol.

Molecular Properties

Compound Name1-[methyl(oxetan-3-yl)amino]propane-1-thiol
PubChem CID134422991
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-[methyl(oxetan-3-yl)amino]propane-1-thiol
SMILESCCC(S)N(C)C1COC1
InChIInChI=1S/C7H15NOS/c1-3-7(10)8(2)6-4-9-5-6/h6-7,10H,3-5H2,1-2H3
InChIKeyFIKOWUDFDHPWDK-UHFFFAOYSA-N
XLogP0.98
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyloxetan-3-amine;ethane
CID 142330300
N,N-dipropyloxetan-3-amine
CID 123858327
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine
CID 145006607
N-(cyclopropylmethyl)-N-methyloxetan-3-amine
CID 123685252
3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine
CID 82734873
N-methyl-N-propyloxetane-3-carboxamide
CID 131224079
2-[methyl(oxan-3-yl)amino]propan-1-ol
CID 103857883
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82753910
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
3,4-di(propan-2-yl)oxolane;2-methylbutane
CID 161401744

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxetan-3-yl)amino]propane-1-thiol?
The IUPAC name of 1-[methyl(oxetan-3-yl)amino]propane-1-thiol (CID 134422991) is 1-[methyl(oxetan-3-yl)amino]propane-1-thiol.
What is the SMILES notation for 1-[methyl(oxetan-3-yl)amino]propane-1-thiol?
The canonical SMILES for 1-[methyl(oxetan-3-yl)amino]propane-1-thiol is CCC(S)N(C)C1COC1.
What is the InChIKey of 1-[methyl(oxetan-3-yl)amino]propane-1-thiol?
The InChIKey is FIKOWUDFDHPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-7(10)8(2)6-4-9-5-6/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-[methyl(oxetan-3-yl)amino]propane-1-thiol?
1-[methyl(oxetan-3-yl)amino]propane-1-thiol has a molecular weight of 161.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxetan-3-yl)amino]propane-1-thiol is sourced from PubChem (CID 134422991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).