N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide

C8H18N2O2S — CID 64990284

IUPACN-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
SMILESCC(CCN)NS(=O)(=O)CC1CC1
InChIInChI=1S/C8H18N2O2S/c1-7(4-5-9)10-13(11,12)6-8-2-3-8/h7-8,10H,2-6,9H2,1H3
InChIKeyDERTVXQVYKMVSN-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.05
Rot. Bonds6

About N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide

N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide (PubChem CID 64990284) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
PubChem CID64990284
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
SMILESCC(CCN)NS(=O)(=O)CC1CC1
InChIInChI=1S/C8H18N2O2S/c1-7(4-5-9)10-13(11,12)6-8-2-3-8/h7-8,10H,2-6,9H2,1H3
InChIKeyDERTVXQVYKMVSN-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide (CID 64990284) is N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide is CC(CCN)NS(=O)(=O)CC1CC1.
What is the InChIKey of N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide?
The InChIKey is DERTVXQVYKMVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(4-5-9)10-13(11,12)6-8-2-3-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide?
N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64990284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).