1-(1-aminopropan-2-ylsulfanyl)butan-2-ol

C7H17NOS — CID 66218600

IUPAC1-(1-aminopropan-2-ylsulfanyl)butan-2-ol
SMILESCCC(O)CSC(C)CN
InChIInChI=1S/C7H17NOS/c1-3-7(9)5-10-6(2)4-8/h6-7,9H,3-5,8H2,1-2H3
InChIKeyICKBGRVLEORLQR-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.84
Rot. Bonds5

About 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol

1-(1-aminopropan-2-ylsulfanyl)butan-2-ol (PubChem CID 66218600) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-ylsulfanyl)butan-2-ol
PubChem CID66218600
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name1-(1-aminopropan-2-ylsulfanyl)butan-2-ol
SMILESCCC(O)CSC(C)CN
InChIInChI=1S/C7H17NOS/c1-3-7(9)5-10-6(2)4-8/h6-7,9H,3-5,8H2,1-2H3
InChIKeyICKBGRVLEORLQR-UHFFFAOYSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-hydroxybutylsulfanyl)butanoate
CID 66114620
1-bromo-3-butan-2-ylsulfanylpropan-2-ol
CID 112560961
1-butan-2-ylsulfanyl-5,5,5-trifluoropentan-2-ol
CID 65136348
1-(2-aminoethylsulfanyl)butan-2-ol
CID 60884792
1-hydroxysulfanylbutan-2-ol
CID 175390847
2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine
CID 159887720
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044
1-(2-aminoethylsulfanyl)butan-2-ol;2-(2-aminoethylsulfanyl)butan-1-ol
CID 159470614
1-(disulfanyl)butan-2-ol
CID 138559697
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
7-amino-6-methylheptan-3-ol
CID 87174577
2-(ethylsulfanylmethylsulfanyl)propan-1-amine
CID 123633237

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol?
The IUPAC name of 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol (CID 66218600) is 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol?
The canonical SMILES for 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol is CCC(O)CSC(C)CN.
What is the InChIKey of 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol?
The InChIKey is ICKBGRVLEORLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-3-7(9)5-10-6(2)4-8/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol?
1-(1-aminopropan-2-ylsulfanyl)butan-2-ol has a molecular weight of 163.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 66218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).