N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide

C10H21NO4S — CID 61039547

IUPACN-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-9(2)11(6-4-7-12)10(13)5-8-16(3,14)15/h9,12H,4-8H2,1-3H3
InChIKeyPNGRJTIAVVWOOD-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.04
Rot. Bonds7

About N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide

N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide (PubChem CID 61039547) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide
PubChem CID61039547
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-9(2)11(6-4-7-12)10(13)5-8-16(3,14)15/h9,12H,4-8H2,1-3H3
InChIKeyPNGRJTIAVVWOOD-UHFFFAOYSA-N
XLogP0.04
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide (CID 61039547) is N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide?
The InChIKey is PNGRJTIAVVWOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2)11(6-4-7-12)10(13)5-8-16(3,14)15/h9,12H,4-8H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide?
N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methylsulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 61039547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).