4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide

C15H30N2OS — CID 80600778

IUPAC4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
SMILESCC(C)C(CCN)CCC(=O)NCC1CCCCS1
InChIInChI=1S/C15H30N2OS/c1-12(2)13(8-9-16)6-7-15(18)17-11-14-5-3-4-10-19-14/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyAICOFJYMEXDZFB-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.79
Rot. Bonds8

About 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide

4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide (PubChem CID 80600778) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
PubChem CID80600778
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Name4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
SMILESCC(C)C(CCN)CCC(=O)NCC1CCCCS1
InChIInChI=1S/C15H30N2OS/c1-12(2)13(8-9-16)6-7-15(18)17-11-14-5-3-4-10-19-14/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyAICOFJYMEXDZFB-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(thian-2-ylmethyl)hexanamide
CID 80599983
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011723
5-bromo-N-(thian-2-ylmethyl)pentanamide
CID 107910332
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
CID 64816609
2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide
CID 80584421
1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide
CID 115442443
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide (CID 80600778) is 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide is CC(C)C(CCN)CCC(=O)NCC1CCCCS1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide?
The InChIKey is AICOFJYMEXDZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12(2)13(8-9-16)6-7-15(18)17-11-14-5-3-4-10-19-14/h12-14H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide?
4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide has a molecular weight of 286.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide is sourced from PubChem (CID 80600778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).