2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol

C13H17Cl2NOS — CID 64807605

IUPAC2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
SMILESOCC(CCSc1cc(Cl)ccc1Cl)NC1CC1
InChIInChI=1S/C13H17Cl2NOS/c14-9-1-4-12(15)13(7-9)18-6-5-11(8-17)16-10-2-3-10/h1,4,7,10-11,16-17H,2-3,5-6,8H2
InChIKeyRFDVWZZCXDRBDV-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.59
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol

2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol (PubChem CID 64807605) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
PubChem CID64807605
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol
SMILESOCC(CCSc1cc(Cl)ccc1Cl)NC1CC1
InChIInChI=1S/C13H17Cl2NOS/c14-9-1-4-12(15)13(7-9)18-6-5-11(8-17)16-10-2-3-10/h1,4,7,10-11,16-17H,2-3,5-6,8H2
InChIKeyRFDVWZZCXDRBDV-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
CID 64805734
2-(cyclopropylamino)-4-(3,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64805977
3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
CID 64806375
2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
CID 64807050
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
CID 64820656
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 66032727
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
4-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63033407

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol (CID 64807605) is 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol is OCC(CCSc1cc(Cl)ccc1Cl)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol?
The InChIKey is RFDVWZZCXDRBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c14-9-1-4-12(15)13(7-9)18-6-5-11(8-17)16-10-2-3-10/h1,4,7,10-11,16-17H,2-3,5-6,8H2.
What are the key properties of 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol?
2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol has a molecular weight of 306.26 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,5-dichlorophenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64807605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).