(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide

C11H24N2O3S — CID 103307564

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
SMILESCCCS(=O)(=O)NC(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C11H24N2O3S/c1-4-5-17(15,16)13-11(14)7-10(8-12)6-9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyJWPSGQPYCLXQPO-JTQLQIEISA-N
MW264.39 g/mol
LogP0.85
Rot. Bonds8

About (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide

(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide (PubChem CID 103307564) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
PubChem CID103307564
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
SMILESCCCS(=O)(=O)NC(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C11H24N2O3S/c1-4-5-17(15,16)13-11(14)7-10(8-12)6-9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyJWPSGQPYCLXQPO-JTQLQIEISA-N
XLogP0.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide
CID 106337101
(3S)-3-(aminomethyl)-N-(2-hydroxypentyl)-5-methylhexanamide
CID 113495819
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
2-[[3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylbutanoic acid
CID 79798556
(3S)-3-(aminomethyl)-5-methyl-N-(2-methylsulfinylpropyl)hexanamide
CID 104865579
(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362527
methyl (2S)-2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-4-methylpentanoate
CID 103954861
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide (CID 103307564) is (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide is CCCS(=O)(=O)NC(=O)C[C@@H](CN)CC(C)C.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide?
The InChIKey is JWPSGQPYCLXQPO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-5-17(15,16)13-11(14)7-10(8-12)6-9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide has a molecular weight of 264.39 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide is sourced from PubChem (CID 103307564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).