2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol

C7H15NOS — CID 64806225

IUPAC2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
SMILESCSCC(CO)NC1CC1
InChIInChI=1S/C7H15NOS/c1-10-5-7(4-9)8-6-2-3-6/h6-9H,2-5H2,1H3
InChIKeyFMGHQJHVRPDHAP-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds5

About 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol

2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol (PubChem CID 64806225) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
PubChem CID64806225
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
SMILESCSCC(CO)NC1CC1
InChIInChI=1S/C7H15NOS/c1-10-5-7(4-9)8-6-2-3-6/h6-9H,2-5H2,1H3
InChIKeyFMGHQJHVRPDHAP-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
CID 111449593
2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64821256
4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
CID 115894377
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
CID 64806375
N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 115901812
2-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64803991
N-(1-methylsulfanylbutan-2-yl)thian-4-amine
CID 115901705
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol (CID 64806225) is 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol is CSCC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol?
The InChIKey is FMGHQJHVRPDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10-5-7(4-9)8-6-2-3-6/h6-9H,2-5H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol?
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 64806225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).