2-amino-N-(2,2-dimethylthietan-3-yl)propanamide

C8H16N2OS — CID 127011786

IUPAC2-amino-N-(2,2-dimethylthietan-3-yl)propanamide
SMILESCC(N)C(=O)NC1CSC1(C)C
InChIInChI=1S/C8H16N2OS/c1-5(9)7(11)10-6-4-12-8(6,2)3/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKeyFGDKLRXJYMWTJL-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.34
Rot. Bonds2

About 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide

2-amino-N-(2,2-dimethylthietan-3-yl)propanamide (PubChem CID 127011786) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylthietan-3-yl)propanamide
PubChem CID127011786
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-amino-N-(2,2-dimethylthietan-3-yl)propanamide
SMILESCC(N)C(=O)NC1CSC1(C)C
InChIInChI=1S/C8H16N2OS/c1-5(9)7(11)10-6-4-12-8(6,2)3/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKeyFGDKLRXJYMWTJL-UHFFFAOYSA-N
XLogP0.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
CID 130639197
2-bromo-N-(2,2-dimethylthietan-3-yl)propanamide
CID 131010692
2-amino-2-cyclopropyl-N-(2,2-dimethylthietan-3-yl)acetamide
CID 130855763
N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide
CID 126989201
ethyl N-(2,2-dimethylthietan-3-yl)carbamate
CID 130725515
N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide
CID 131187285
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 127004064
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243
(Z)-4-[(2,2-dimethylthietan-3-yl)amino]-4-oxobut-2-enoic acid
CID 131239479

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide?
The IUPAC name of 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide (CID 127011786) is 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide is CC(N)C(=O)NC1CSC1(C)C.
What is the InChIKey of 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide?
The InChIKey is FGDKLRXJYMWTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-5(9)7(11)10-6-4-12-8(6,2)3/h5-6H,4,9H2,1-3H3,(H,10,11).
What are the key properties of 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide?
2-amino-N-(2,2-dimethylthietan-3-yl)propanamide has a molecular weight of 188.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylthietan-3-yl)propanamide is sourced from PubChem (CID 127011786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).