N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide

C10H21NO4S — CID 165449742

IUPACN-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide
SMILESCCS(=O)(=O)CC(O)CNC(=O)CC(C)C
InChIInChI=1S/C10H21NO4S/c1-4-16(14,15)7-9(12)6-11-10(13)5-8(2)3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyPKSRPRXOKFZJFB-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.06
Rot. Bonds7

About N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide

N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide (PubChem CID 165449742) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide
PubChem CID165449742
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide
SMILESCCS(=O)(=O)CC(O)CNC(=O)CC(C)C
InChIInChI=1S/C10H21NO4S/c1-4-16(14,15)7-9(12)6-11-10(13)5-8(2)3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyPKSRPRXOKFZJFB-UHFFFAOYSA-N
XLogP-0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide?
The IUPAC name of N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide (CID 165449742) is N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide?
The canonical SMILES for N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide is CCS(=O)(=O)CC(O)CNC(=O)CC(C)C.
What is the InChIKey of N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide?
The InChIKey is PKSRPRXOKFZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-4-16(14,15)7-9(12)6-11-10(13)5-8(2)3/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide?
N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide has a molecular weight of 251.35 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonyl-2-hydroxypropyl)-3-methylbutanamide is sourced from PubChem (CID 165449742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).