2-(tert-butylamino)-N-(thian-3-yl)acetamide

C11H22N2OS — CID 115674777

IUPAC2-(tert-butylamino)-N-(thian-3-yl)acetamide
SMILESCC(C)(C)NCC(=O)NC1CCCSC1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)12-7-10(14)13-9-5-4-6-15-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyKUTNTPIHVSERFJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds3

About 2-(tert-butylamino)-N-(thian-3-yl)acetamide

2-(tert-butylamino)-N-(thian-3-yl)acetamide (PubChem CID 115674777) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(thian-3-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(thian-3-yl)acetamide
PubChem CID115674777
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(tert-butylamino)-N-(thian-3-yl)acetamide
SMILESCC(C)(C)NCC(=O)NC1CCCSC1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)12-7-10(14)13-9-5-4-6-15-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyKUTNTPIHVSERFJ-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide
CID 78986831
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
2-methyl-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364259
N-cyclopentyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43389811
N-cyclohexyl-2-(2-methylpentan-2-ylamino)acetamide
CID 115621342
2-(tert-butylamino)-N-(4-propylcyclohexyl)acetamide
CID 78986680
N-cyclopentyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 113350261
N-cyclopentyl-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 103949963
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
N-propan-2-yl-2-(thian-3-ylamino)acetamide
CID 62871240
2-(tert-butylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 78986739
2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
CID 115740727

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(thian-3-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(thian-3-yl)acetamide (CID 115674777) is 2-(tert-butylamino)-N-(thian-3-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(thian-3-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(thian-3-yl)acetamide is CC(C)(C)NCC(=O)NC1CCCSC1.
What is the InChIKey of 2-(tert-butylamino)-N-(thian-3-yl)acetamide?
The InChIKey is KUTNTPIHVSERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(2,3)12-7-10(14)13-9-5-4-6-15-8-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(tert-butylamino)-N-(thian-3-yl)acetamide?
2-(tert-butylamino)-N-(thian-3-yl)acetamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(thian-3-yl)acetamide is sourced from PubChem (CID 115674777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).