3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol

C10H23NO3S2 — CID 114369812

IUPAC3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)SCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(2,3)9(11)8(7-12)15-5-6-16(4,13)14/h8-9,12H,5-7,11H2,1-4H3
InChIKeyDLMGCWXOEIZOMA-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.50
Rot. Bonds6

About 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol

3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol (PubChem CID 114369812) has the molecular formula C10H23NO3S2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol
PubChem CID114369812
Molecular FormulaC10H23NO3S2
Molecular Weight269.43 g/mol
Exact Mass269.11
IUPAC Name3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)SCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S2/c1-10(2,3)9(11)8(7-12)15-5-6-16(4,13)14/h8-9,12H,5-7,11H2,1-4H3
InChIKeyDLMGCWXOEIZOMA-UHFFFAOYSA-N
XLogP0.50
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-(2-methylsulfonylethylsulfanyl)butan-2-amine
CID 64610655
(2R)-2-amino-3-methyl-3-(2-methylsulfonylethylsulfanyl)butanoic acid
CID 106442436
3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-ol
CID 83139457
2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 63659927
methyl 2-amino-3-(2-methylsulfonylethylsulfanyl)propanoate
CID 63659774
N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 65314172
N'-hydroxy-2-(2-methylsulfonylethylsulfanyl)butanimidamide
CID 77003954
2-amino-2-methyl-5-(2-methylsulfonylethylsulfanyl)pentan-1-ol
CID 64808162
5-amino-6,6-dimethyl-1-methylsulfonylheptan-4-one
CID 116611382
2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 64807333
2-amino-2-methyl-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63658336
2-amino-4-(2-methylsulfonylethylsulfanyl)butanoic acid
CID 60917450

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol (CID 114369812) is 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol is CC(C)(C)C(N)C(CO)SCCS(C)(=O)=O.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol?
The InChIKey is DLMGCWXOEIZOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S2/c1-10(2,3)9(11)8(7-12)15-5-6-16(4,13)14/h8-9,12H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol?
3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)pentan-1-ol is sourced from PubChem (CID 114369812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).