N-propan-2-yl-3-propoxypropane-1-sulfonamide

C9H21NO3S — CID 118884464

IUPACN-propan-2-yl-3-propoxypropane-1-sulfonamide
SMILESCCCOCCCS(=O)(=O)NC(C)C
InChIInChI=1S/C9H21NO3S/c1-4-6-13-7-5-8-14(11,12)10-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyVJNVLZXIXVYLOW-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.13
Rot. Bonds8

About N-propan-2-yl-3-propoxypropane-1-sulfonamide

N-propan-2-yl-3-propoxypropane-1-sulfonamide (PubChem CID 118884464) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-propan-2-yl-3-propoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3-propoxypropane-1-sulfonamide
PubChem CID118884464
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-propan-2-yl-3-propoxypropane-1-sulfonamide
SMILESCCCOCCCS(=O)(=O)NC(C)C
InChIInChI=1S/C9H21NO3S/c1-4-6-13-7-5-8-14(11,12)10-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyVJNVLZXIXVYLOW-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-propoxypropane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-3-propoxypropane-1-sulfonamide (CID 118884464) is N-propan-2-yl-3-propoxypropane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-3-propoxypropane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-3-propoxypropane-1-sulfonamide is CCCOCCCS(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-3-propoxypropane-1-sulfonamide?
The InChIKey is VJNVLZXIXVYLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-6-13-7-5-8-14(11,12)10-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-3-propoxypropane-1-sulfonamide?
N-propan-2-yl-3-propoxypropane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-propoxypropane-1-sulfonamide is sourced from PubChem (CID 118884464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).