N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine

C7H19NO2S — CID 155782491

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNS(C)(O)O
InChIInChI=1S/C7H19NO2S/c1-7(2,3)5-6-8-11(4,9)10/h8-10H,5-6H2,1-4H3
InChIKeyCKMUVTRIGFLYLK-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.31
Rot. Bonds3

About N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine

N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine (PubChem CID 155782491) has the molecular formula C7H19NO2S and a molecular weight of 181.30 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine
PubChem CID155782491
Molecular FormulaC7H19NO2S
Molecular Weight181.30 g/mol
Exact Mass181.11
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNS(C)(O)O
InChIInChI=1S/C7H19NO2S/c1-7(2,3)5-6-8-11(4,9)10/h8-10H,5-6H2,1-4H3
InChIKeyCKMUVTRIGFLYLK-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)methanesulfonamide
CID 20774379
2,2-Dimethylbutan-1-amine;methanethiol;molecular hydrogen;dihydrate
CID 144174446
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane;molecular hydrogen
CID 144267996
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-1-amine
CID 153329727
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane
CID 153622737
N-[dihydroxy(methyl)-lambda4-sulfanyl]-2-methylpropan-1-amine;ethane
CID 166557752
3,3-Dimethyl-1-(sulfinoamino)butane
CID 19598458

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine (CID 155782491) is N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine?
The InChIKey is CKMUVTRIGFLYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO2S/c1-7(2,3)5-6-8-11(4,9)10/h8-10H,5-6H2,1-4H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine?
N-[dihydroxy(methyl)-λ4-sulfanyl]-3,3-dimethylbutan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.31, 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]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 155782491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).