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

C14H29NOS — CID 107764801

IUPAC2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCCC(C)CSCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C14H29NOS/c1-5-12(4)8-17-10-14(9-16,13-6-7-13)15-11(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeySIDOZSZGIUUGHK-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.90
Rot. Bonds9

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

2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 107764801) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID107764801
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCCC(C)CSCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C14H29NOS/c1-5-12(4)8-17-10-14(9-16,13-6-7-13)15-11(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeySIDOZSZGIUUGHK-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.90
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-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
2-cyclopropyl-2-(ethylamino)-3-(2-methylpropylsulfanyl)propan-1-ol
CID 64820599
3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 103291371
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-2-(ethylamino)-3-ethylsulfanylpropan-1-ol
CID 64818609
2-methyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propanoic acid
CID 107756073
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 66103202
2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64805340
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol (CID 107764801) is 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol is CCC(C)CSCC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is SIDOZSZGIUUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-12(4)8-17-10-14(9-16,13-6-7-13)15-11(2)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 107764801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).