N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide

C10H20N2OS — CID 104530421

IUPACN,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-10(2,9(13)11-3)7-12-8-4-5-14-6-8/h8,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyRPUHPWZTOKZMTO-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.85
Rot. Bonds4

About N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide

N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide (PubChem CID 104530421) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide
PubChem CID104530421
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-10(2,9(13)11-3)7-12-8-4-5-14-6-8/h8,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyRPUHPWZTOKZMTO-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-3-[(3-methylcyclobutyl)amino]propanamide
CID 104859958
N,2,2-trimethyl-3-[(1-methylpyrrolidin-3-yl)amino]propanamide
CID 103824204
N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
CID 63859971
N-(2-cyclopentyl-2-methylpropyl)thiolan-3-amine
CID 115895846
N-(2-cyclohexyl-2-methylpropyl)thiolan-3-amine
CID 115897210
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
3-[(2-cyclohexylcyclohexyl)amino]-N,2,2-trimethylpropanamide
CID 103917226
N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine
CID 115891428
ethyl 2-(thiolan-3-ylamino)acetate
CID 60811995
bis(N-methylthiolan-3-amine);oxalic acid
CID 72716278
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide (CID 104530421) is N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide is CNC(=O)C(C)(C)CNC1CCSC1.
What is the InChIKey of N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide?
The InChIKey is RPUHPWZTOKZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,9(13)11-3)7-12-8-4-5-14-6-8/h8,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide?
N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide has a molecular weight of 216.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide is sourced from PubChem (CID 104530421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).