3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide

C14H29NOS — CID 167663475

IUPAC3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide
SMILESCCC(C)(C)CC(=O)N[C@H](C)CC(C)(C)SC
InChIInChI=1S/C14H29NOS/c1-8-13(3,4)10-12(16)15-11(2)9-14(5,6)17-7/h11H,8-10H2,1-7H3,(H,15,16)/t11-/m1/s1
InChIKeyHPGDIRIESADFSK-LLVKDONJSA-N
MW259.46 g/mol
LogP3.85
Rot. Bonds7

About 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide

3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide (PubChem CID 167663475) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide
PubChem CID167663475
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide
SMILESCCC(C)(C)CC(=O)N[C@H](C)CC(C)(C)SC
InChIInChI=1S/C14H29NOS/c1-8-13(3,4)10-12(16)15-11(2)9-14(5,6)17-7/h11H,8-10H2,1-7H3,(H,15,16)/t11-/m1/s1
InChIKeyHPGDIRIESADFSK-LLVKDONJSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-propan-2-ylpentanamide
CID 89006014
N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3,3,5,5,8-pentamethyl-7-oxo-N-(1-sulfanylpropan-2-yl)nonanamide
CID 165129655
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
3-amino-N-hexan-2-yl-3-methylbutanamide
CID 64677229
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440
2-methyl-4-oxo-4-(pentan-2-ylamino)-2-propan-2-ylbutanoic acid
CID 43529425
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 104854905
methyl 3,3-dimethylpentanoate
CID 3757207

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide?
The IUPAC name of 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide (CID 167663475) is 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide?
The canonical SMILES for 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide is CCC(C)(C)CC(=O)N[C@H](C)CC(C)(C)SC.
What is the InChIKey of 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide?
The InChIKey is HPGDIRIESADFSK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H29NOS/c1-8-13(3,4)10-12(16)15-11(2)9-14(5,6)17-7/h11H,8-10H2,1-7H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide?
3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide has a molecular weight of 259.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide is sourced from PubChem (CID 167663475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).