N-propan-2-yl-2-(thian-3-ylamino)acetamide

C10H20N2OS — CID 62871240

IUPACN-propan-2-yl-2-(thian-3-ylamino)acetamide
SMILESCC(C)NC(=O)CNC1CCCSC1
InChIInChI=1S/C10H20N2OS/c1-8(2)12-10(13)6-11-9-4-3-5-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOWFFGAYEFJPHIW-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds4

About N-propan-2-yl-2-(thian-3-ylamino)acetamide

N-propan-2-yl-2-(thian-3-ylamino)acetamide (PubChem CID 62871240) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-propan-2-yl-2-(thian-3-ylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(thian-3-ylamino)acetamide
PubChem CID62871240
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-propan-2-yl-2-(thian-3-ylamino)acetamide
SMILESCC(C)NC(=O)CNC1CCCSC1
InChIInChI=1S/C10H20N2OS/c1-8(2)12-10(13)6-11-9-4-3-5-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOWFFGAYEFJPHIW-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(thian-3-ylamino)acetic acid
CID 62872146
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
1-(thian-3-ylamino)propan-2-ol
CID 62873442
2-(piperidin-4-ylamino)-N-propan-2-ylacetamide
CID 61016594
2-[(5-methylthiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 79941340
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
2-[(1-acetylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43224142
2-[(3,3-dimethylcyclopentyl)amino]-N-propan-2-ylacetamide
CID 80692862
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(thian-3-ylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(thian-3-ylamino)acetamide (CID 62871240) is N-propan-2-yl-2-(thian-3-ylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(thian-3-ylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(thian-3-ylamino)acetamide is CC(C)NC(=O)CNC1CCCSC1.
What is the InChIKey of N-propan-2-yl-2-(thian-3-ylamino)acetamide?
The InChIKey is OWFFGAYEFJPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)12-10(13)6-11-9-4-3-5-14-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-yl-2-(thian-3-ylamino)acetamide?
N-propan-2-yl-2-(thian-3-ylamino)acetamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(thian-3-ylamino)acetamide is sourced from PubChem (CID 62871240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).