N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide

C12H24N2OS — CID 107131903

IUPACN-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-3-10(2)14-12(15)4-6-13-8-11-5-7-16-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyUYMCFOHDJNBOJV-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds7

About N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide

N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide (PubChem CID 107131903) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide
PubChem CID107131903
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-3-10(2)14-12(15)4-6-13-8-11-5-7-16-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyUYMCFOHDJNBOJV-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
N-butan-2-yl-3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propanamide
CID 79221235
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-butan-2-yl-3-(1-cyclobutylpropan-2-ylamino)propanamide
CID 115713176
N-(1-cyclopropylethyl)-3-(ethylamino)propanamide
CID 62831403

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide (CID 107131903) is N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide is CCC(C)NC(=O)CCNCC1CCSC1.
What is the InChIKey of N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide?
The InChIKey is UYMCFOHDJNBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-10(2)14-12(15)4-6-13-8-11-5-7-16-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide?
N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide is sourced from PubChem (CID 107131903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).