2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide

C11H24N2O4S — CID 54916292

IUPAC2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCCO)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-9(2)13(6-4-7-14)11(15)10(12)5-8-18(3,16)17/h9-10,14H,4-8,12H2,1-3H3
InChIKeyZIGDJDQQRAJINP-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.63
Rot. Bonds8

About 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide

2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide (PubChem CID 54916292) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide
PubChem CID54916292
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCCO)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-9(2)13(6-4-7-14)11(15)10(12)5-8-18(3,16)17/h9-10,14H,4-8,12H2,1-3H3
InChIKeyZIGDJDQQRAJINP-UHFFFAOYSA-N
XLogP-0.63
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide (CID 54916292) is 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide is CC(C)N(CCCO)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide?
The InChIKey is ZIGDJDQQRAJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(2)13(6-4-7-14)11(15)10(12)5-8-18(3,16)17/h9-10,14H,4-8,12H2,1-3H3.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide?
2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide has a molecular weight of 280.39 g/mol, XLogP of -0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-4-methylsulfonyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 54916292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).