4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol

C12H25NOS — CID 64818836

IUPAC4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
SMILESCC(CO)(CCSC(C)(C)C)NC1CC1
InChIInChI=1S/C12H25NOS/c1-11(2,3)15-8-7-12(4,9-14)13-10-5-6-10/h10,13-14H,5-9H2,1-4H3
InChIKeyJXNWOAMIPHTCQA-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds6

About 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol

4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol (PubChem CID 64818836) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
PubChem CID64818836
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
SMILESCC(CO)(CCSC(C)(C)C)NC1CC1
InChIInChI=1S/C12H25NOS/c1-11(2,3)15-8-7-12(4,9-14)13-10-5-6-10/h10,13-14H,5-9H2,1-4H3
InChIKeyJXNWOAMIPHTCQA-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818802
2-(cyclopropylamino)-2-methyl-4-(2-methylsulfonylethylsulfanyl)butan-1-ol
CID 64806077
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64808099
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
2-(cyclopropylamino)-6-[cyclopropyl(methyl)amino]-2-methylhexan-1-ol
CID 64796135
2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
CID 64821265
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
2-(cyclopropylamino)-4-(2-ethoxyethoxy)-2-methylbutan-1-ol
CID 64802763
2-(cyclopropylamino)-2-methylpropan-1-ol
CID 61056004
2-(cyclopropylamino)-5-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64798617

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol (CID 64818836) is 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol is CC(CO)(CCSC(C)(C)C)NC1CC1.
What is the InChIKey of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
The InChIKey is JXNWOAMIPHTCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(2,3)15-8-7-12(4,9-14)13-10-5-6-10/h10,13-14H,5-9H2,1-4H3.
What are the key properties of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64818836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).