2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol

C8H17NOS — CID 61053789

IUPAC2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NC1CC1
InChIInChI=1S/C8H17NOS/c1-11-5-4-8(6-10)9-7-2-3-7/h7-10H,2-6H2,1H3
InChIKeyRJWVRVWVXIYFST-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds6

About 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol

2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol (PubChem CID 61053789) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
PubChem CID61053789
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NC1CC1
InChIInChI=1S/C8H17NOS/c1-11-5-4-8(6-10)9-7-2-3-7/h7-10H,2-6H2,1H3
InChIKeyRJWVRVWVXIYFST-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
CID 115894377
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
CID 116504832
(2S)-2-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-4-methylsulfanylbutan-1-ol
CID 131949225
2-(cyclopropylamino)-4-(3,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64805977
2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
CID 64807050
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
4-benzylsulfanyl-2-(cyclopropylamino)butan-1-ol
CID 64808012
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
CID 115711535
2-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
CID 111449593
2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
CID 64807605

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol (CID 61053789) is 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol is CSCCC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol?
The InChIKey is RJWVRVWVXIYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-5-4-8(6-10)9-7-2-3-7/h7-10H,2-6H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol?
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 61053789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).