2-(cyclopropylmethoxymethyl)butane-1-sulfonamide

C9H19NO3S — CID 64999436

IUPAC2-(cyclopropylmethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC1CC1)CS(N)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-2-8(7-14(10,11)12)5-13-6-9-3-4-9/h8-9H,2-7H2,1H3,(H2,10,11,12)
InChIKeyBYRWILNSTLJPGJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.73
Rot. Bonds7

About 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide

2-(cyclopropylmethoxymethyl)butane-1-sulfonamide (PubChem CID 64999436) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)butane-1-sulfonamide
PubChem CID64999436
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-(cyclopropylmethoxymethyl)butane-1-sulfonamide
SMILESCCC(COCC1CC1)CS(N)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-2-8(7-14(10,11)12)5-13-6-9-3-4-9/h8-9H,2-7H2,1H3,(H2,10,11,12)
InChIKeyBYRWILNSTLJPGJ-UHFFFAOYSA-N
XLogP0.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide (CID 64999436) is 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide is CCC(COCC1CC1)CS(N)(=O)=O.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide?
The InChIKey is BYRWILNSTLJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-8(7-14(10,11)12)5-13-6-9-3-4-9/h8-9H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide?
2-(cyclopropylmethoxymethyl)butane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 64999436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).