N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide

C14H29N3O3S — CID 122154862

IUPACN-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide
SMILESCN(C)CCC(NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C14H29N3O3S/c1-14(2,3)12(7-8-16(4)5)15-13(18)17-9-11(10-17)21(6,19)20/h11-12H,7-10H2,1-6H3,(H,15,18)
InChIKeyLKQDQFMDECWVKB-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.79
Rot. Bonds5

About N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide

N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide (PubChem CID 122154862) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide
PubChem CID122154862
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide
SMILESCN(C)CCC(NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C14H29N3O3S/c1-14(2,3)12(7-8-16(4)5)15-13(18)17-9-11(10-17)21(6,19)20/h11-12H,7-10H2,1-6H3,(H,15,18)
InChIKeyLKQDQFMDECWVKB-UHFFFAOYSA-N
XLogP0.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106349311
(2S)-2-amino-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]butanamide
CID 119888444
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538856
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]acetamide
CID 119888440
1-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(3-hydroxypropyl)urea
CID 111422941
methyl 3-methylsulfonylazetidine-1-carboxylate
CID 176706532
N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
CID 115596643
4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 90585273
N-[2,2-dimethyl-1-(3-methylphenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 131961104
tert-butyl N-[1-[2-(dimethylamino)ethylcarbamoyl]azetidin-3-yl]carbamate
CID 175990105
3-methylsulfonyl-N-prop-2-enylpyrrolidine-1-carboxamide
CID 90584740

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide (CID 122154862) is N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide is CN(C)CCC(NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide?
The InChIKey is LKQDQFMDECWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-14(2,3)12(7-8-16(4)5)15-13(18)17-9-11(10-17)21(6,19)20/h11-12H,7-10H2,1-6H3,(H,15,18).
What are the key properties of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide?
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-methylsulfonylazetidine-1-carboxamide is sourced from PubChem (CID 122154862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).