(3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide

C10H18N4OS — CID 104982943

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide
SMILESCC(C)CC(CN)CC(=O)Nc1cnns1
InChIInChI=1S/C10H18N4OS/c1-7(2)3-8(5-11)4-9(15)13-10-6-12-14-16-10/h6-8H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyDRFMXAFWWDTLQD-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.49
Rot. Bonds6

About (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide (PubChem CID 104982943) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide
PubChem CID104982943
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide
SMILESCC(C)CC(CN)CC(=O)Nc1cnns1
InChIInChI=1S/C10H18N4OS/c1-7(2)3-8(5-11)4-9(15)13-10-6-12-14-16-10/h6-8H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyDRFMXAFWWDTLQD-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide (CID 104982943) is (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide is CC(C)CC(CN)CC(=O)Nc1cnns1.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide?
The InChIKey is DRFMXAFWWDTLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)3-8(5-11)4-9(15)13-10-6-12-14-16-10/h6-8H,3-5,11H2,1-2H3,(H,13,15).
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide has a molecular weight of 242.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-(thiadiazol-5-yl)hexanamide is sourced from PubChem (CID 104982943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).