2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide

C8H18N2O2S — CID 66128757

IUPAC2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide
SMILESCC(N)(CCSCCCO)C(N)=O
InChIInChI=1S/C8H18N2O2S/c1-8(10,7(9)12)3-6-13-5-2-4-11/h11H,2-6,10H2,1H3,(H2,9,12)
InChIKeyDPLWKOKRWBESTR-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.31
Rot. Bonds7

About 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide

2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide (PubChem CID 66128757) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide
PubChem CID66128757
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide
SMILESCC(N)(CCSCCCO)C(N)=O
InChIInChI=1S/C8H18N2O2S/c1-8(10,7(9)12)3-6-13-5-2-4-11/h11H,2-6,10H2,1H3,(H2,9,12)
InChIKeyDPLWKOKRWBESTR-UHFFFAOYSA-N
XLogP-0.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide
CID 10442235
2,5-diamino-2-methylpentanamide
CID 130907221
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
2-(ethylamino)-4-(3-hydroxypropylsulfanyl)-2-methylbutanoic acid
CID 66128538
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2-amino-2-methyltetradecanamide
CID 175155192
ethyl 2-amino-4-(3-methoxypropylsulfanyl)-2-methylbutanoate
CID 63855424
ethyl 5-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66129175
2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
CID 107755391
(2R)-2-amino-2-(2-butylsulfanylethyl)-3,3-dimethylbutanoic acid
CID 91364833
methyl 6-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexanoate
CID 66128963

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide?
The IUPAC name of 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide (CID 66128757) is 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide is CC(N)(CCSCCCO)C(N)=O.
What is the InChIKey of 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide?
The InChIKey is DPLWKOKRWBESTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(10,7(9)12)3-6-13-5-2-4-11/h11H,2-6,10H2,1H3,(H2,9,12).
What are the key properties of 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide?
2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide has a molecular weight of 206.31 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide is sourced from PubChem (CID 66128757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).