N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide

C10H20N2OS — CID 115920118

IUPACN-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
SMILESCC(C)CNC(=O)CNC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-8(2)5-12-10(13)6-11-9-3-4-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyAYVKQSKUMGBIPK-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.85
Rot. Bonds5

About N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide

N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide (PubChem CID 115920118) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
PubChem CID115920118
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
SMILESCC(C)CNC(=O)CNC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-8(2)5-12-10(13)6-11-9-3-4-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyAYVKQSKUMGBIPK-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-propan-2-yl-2-(thian-3-ylamino)acetamide
CID 62871240
4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809879
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515
1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
CID 103709712
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
2-(cyclopropylamino)-N-(2,3-dimethylbutyl)acetamide
CID 64598291
ethyl 2-(thiolan-3-ylamino)acetate
CID 60811995
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide (CID 115920118) is N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide is CC(C)CNC(=O)CNC1CCSC1.
What is the InChIKey of N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide?
The InChIKey is AYVKQSKUMGBIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)5-12-10(13)6-11-9-3-4-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide?
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide has a molecular weight of 216.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide is sourced from PubChem (CID 115920118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).