N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine

C6H17NO2S — CID 153397461

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NS(C)(O)O
InChIInChI=1S/C6H17NO2S/c1-5(2)6(3)7-10(4,8)9/h5-9H,1-4H3
InChIKeyIGYGQSRUYZXJBT-UHFFFAOYSA-N
MW167.27 g/mol
LogP1.92
Rot. Bonds3

About N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine

N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine (PubChem CID 153397461) has the molecular formula C6H17NO2S and a molecular weight of 167.27 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine
PubChem CID153397461
Molecular FormulaC6H17NO2S
Molecular Weight167.27 g/mol
Exact Mass167.10
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NS(C)(O)O
InChIInChI=1S/C6H17NO2S/c1-5(2)6(3)7-10(4,8)9/h5-9H,1-4H3
InChIKeyIGYGQSRUYZXJBT-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 153298586
2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 166766896
methanesulfonic acid;1-sulfanylethanol
CID 174795676
methanesulfonic acid;methanetriol
CID 174918384
N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine
CID 123637558
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
chloroform;methanesulfonic acid
CID 158495186
N-fluoro-3-methylbutan-2-amine
CID 131992470
N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine
CID 147423787
2-methoxy-N-(3-methylbutan-2-yl)propanamide
CID 115587528

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine (CID 153397461) is N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine is CC(C)C(C)NS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine?
The InChIKey is IGYGQSRUYZXJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO2S/c1-5(2)6(3)7-10(4,8)9/h5-9H,1-4H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine?
N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine has a molecular weight of 167.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-2-amine is sourced from PubChem (CID 153397461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).