2-methyl-N-(thian-4-ylmethyl)propanamide

C10H19NOS — CID 115625101

IUPAC2-methyl-N-(thian-4-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CCSCC1
InChIInChI=1S/C10H19NOS/c1-8(2)10(12)11-7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJUHDRQUJGHEIKF-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-N-(thian-4-ylmethyl)propanamide

2-methyl-N-(thian-4-ylmethyl)propanamide (PubChem CID 115625101) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methyl-N-(thian-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(thian-4-ylmethyl)propanamide
PubChem CID115625101
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methyl-N-(thian-4-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CCSCC1
InChIInChI=1S/C10H19NOS/c1-8(2)10(12)11-7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJUHDRQUJGHEIKF-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
N-(thian-4-ylmethyl)acetamide
CID 91415666
3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
CID 104866186
(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate
CID 71263253
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-4-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(thian-4-ylmethyl)propanamide (CID 115625101) is 2-methyl-N-(thian-4-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(thian-4-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(thian-4-ylmethyl)propanamide is CC(C)C(=O)NCC1CCSCC1.
What is the InChIKey of 2-methyl-N-(thian-4-ylmethyl)propanamide?
The InChIKey is JUHDRQUJGHEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(2)10(12)11-7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-(thian-4-ylmethyl)propanamide?
2-methyl-N-(thian-4-ylmethyl)propanamide has a molecular weight of 201.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-4-ylmethyl)propanamide is sourced from PubChem (CID 115625101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).