2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide

C12H24N2OS — CID 107472858

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-12(2,3)6-9(7-13)11(15)14-10-4-5-16-8-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyUBQSHYZFWWOOFH-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.62
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide (PubChem CID 107472858) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
PubChem CID107472858
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-12(2,3)6-9(7-13)11(15)14-10-4-5-16-8-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyUBQSHYZFWWOOFH-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
CID 115740731
2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 107472463
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
CID 107471991
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
CID 107472621
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide (CID 107472858) is 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide is CC(C)(C)CC(CN)C(=O)NC1CCSC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide?
The InChIKey is UBQSHYZFWWOOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-12(2,3)6-9(7-13)11(15)14-10-4-5-16-8-10/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide has a molecular weight of 244.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide is sourced from PubChem (CID 107472858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).