2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol

C10H21NOS — CID 64806021

IUPAC2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCSCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C10H21NOS/c1-8(2)11-10(6-12,7-13-3)9-4-5-9/h8-9,11-12H,4-7H2,1-3H3
InChIKeyIKGKDQQMNMMGTC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds6

About 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64806021) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64806021
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCSCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C10H21NOS/c1-8(2)11-10(6-12,7-13-3)9-4-5-9/h8-9,11-12H,4-7H2,1-3H3
InChIKeyIKGKDQQMNMMGTC-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 107764801
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64805340
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806530
3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 103291371
2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826657
2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 64791623
2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
CID 64798204
2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol (CID 64806021) is 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol is CSCC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is IKGKDQQMNMMGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)11-10(6-12,7-13-3)9-4-5-9/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64806021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).