3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol

C10H21NOS — CID 114369842

IUPAC3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol
SMILESCC(C)CSC(CO)C(N)C1CC1
InChIInChI=1S/C10H21NOS/c1-7(2)6-13-9(5-12)10(11)8-3-4-8/h7-10,12H,3-6,11H2,1-2H3
InChIKeyHVWZZFZYLIHTJO-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.47
Rot. Bonds6

About 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol

3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol (PubChem CID 114369842) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol
PubChem CID114369842
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol
SMILESCC(C)CSC(CO)C(N)C1CC1
InChIInChI=1S/C10H21NOS/c1-7(2)6-13-9(5-12)10(11)8-3-4-8/h7-10,12H,3-6,11H2,1-2H3
InChIKeyHVWZZFZYLIHTJO-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-2-[(3,5-dimethylphenyl)methylsulfanyl]propan-1-ol
CID 114370690
3-amino-3-cyclopropyl-2-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 114370461
3-amino-3-cyclopropyl-2-(3-methylcyclohexyl)sulfanylpropan-1-ol
CID 114370454
3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
CID 114370350
(1R)-1-amino-1-cyclopropylpropan-2-ol
CID 68935616
2-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
CID 82932340
3-(3-amino-1-hydroxybutan-2-yl)sulfanylpropane-1,2-diol
CID 79670793
3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol
CID 114370075
3-amino-3-cyclopropyl-2-(dipropylamino)propan-1-ol
CID 114356470
3-amino-3-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 114370005
(2R)-2-amino-2-cyclopropylethane-1,1-diol
CID 130242537
2-amino-1-cyclopropyl-4-methylpentan-1-ol
CID 62762197

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol (CID 114369842) is 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol is CC(C)CSC(CO)C(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol?
The InChIKey is HVWZZFZYLIHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-7(2)6-13-9(5-12)10(11)8-3-4-8/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol?
3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(2-methylpropylsulfanyl)propan-1-ol is sourced from PubChem (CID 114369842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).