4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide

C11H22N2OS2 — CID 115739503

IUPAC4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)NCC1CSCCS1
InChIInChI=1S/C11H22N2OS2/c1-11(2,12)4-3-10(14)13-7-9-8-15-5-6-16-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyVCSHXXGNEYNNHO-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.47
Rot. Bonds5

About 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide

4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide (PubChem CID 115739503) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide
PubChem CID115739503
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)NCC1CSCCS1
InChIInChI=1S/C11H22N2OS2/c1-11(2,12)4-3-10(14)13-7-9-8-15-5-6-16-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyVCSHXXGNEYNNHO-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
CID 104866324
2-(1,4-dithian-2-ylmethylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116537513
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
N-(1,4-dithian-2-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 115739496
2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 119788268
1-(1,4-dithian-2-ylmethyl)-2,3-dimethylguanidine
CID 111975003
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
2-(1,4-dithian-2-ylmethylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429338
(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103797025

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide (CID 115739503) is 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide is CC(C)(N)CCC(=O)NCC1CSCCS1.
What is the InChIKey of 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide?
The InChIKey is VCSHXXGNEYNNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-11(2,12)4-3-10(14)13-7-9-8-15-5-6-16-9/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide?
4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide has a molecular weight of 262.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 115739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).