2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol

C11H25NOS — CID 64819020

IUPAC2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CSCC(C)C
InChIInChI=1S/C11H25NOS/c1-5-6-12-11(4,8-13)9-14-7-10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyPBUIZIBAWWIXTN-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.13
Rot. Bonds8

About 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol

2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol (PubChem CID 64819020) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol
PubChem CID64819020
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CSCC(C)C
InChIInChI=1S/C11H25NOS/c1-5-6-12-11(4,8-13)9-14-7-10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyPBUIZIBAWWIXTN-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
2-methyl-2-(propylamino)-4-propylsulfanylbutan-1-ol
CID 64818839
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821262
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
3-[ethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64795479
2-methyl-2-(2-methylpropylamino)pentan-1-ol
CID 61054736
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol
CID 64802518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol (CID 64819020) is 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CSCC(C)C.
What is the InChIKey of 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol?
The InChIKey is PBUIZIBAWWIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-6-12-11(4,8-13)9-14-7-10(2)3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol?
2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64819020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).