1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide

C11H24N2O2S — CID 79013643

IUPAC1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)C(C)CN
InChIInChI=1S/C11H24N2O2S/c1-9(2)6-7-13(11-4-5-11)16(14,15)10(3)8-12/h9-11H,4-8,12H2,1-3H3
InChIKeyYMXQGZPXWKLODP-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.17
Rot. Bonds7

About 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide

1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide (PubChem CID 79013643) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
PubChem CID79013643
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)C(C)CN
InChIInChI=1S/C11H24N2O2S/c1-9(2)6-7-13(11-4-5-11)16(14,15)10(3)8-12/h9-11H,4-8,12H2,1-3H3
InChIKeyYMXQGZPXWKLODP-UHFFFAOYSA-N
XLogP1.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 78974166
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
CID 78974350
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide (CID 79013643) is 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)C(C)CN.
What is the InChIKey of 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
The InChIKey is YMXQGZPXWKLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)6-7-13(11-4-5-11)16(14,15)10(3)8-12/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 79013643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).