N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide

C9H21NO3S — CID 43574625

IUPACN-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C9H21NO3S/c1-4-5-8-14(12,13)10(6-7-11)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMTDJRPDKSVYOGC-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.82
Rot. Bonds7

About N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide

N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 43574625) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide
PubChem CID43574625
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C9H21NO3S/c1-4-5-8-14(12,13)10(6-7-11)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMTDJRPDKSVYOGC-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide (CID 43574625) is N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is MTDJRPDKSVYOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-5-8-14(12,13)10(6-7-11)9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 43574625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).