N-butyl-2-(thiolan-3-ylmethylamino)propanamide

C12H24N2OS — CID 107295770

IUPACN-butyl-2-(thiolan-3-ylmethylamino)propanamide
SMILESCCCCNC(=O)C(C)NCC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-3-4-6-13-12(15)10(2)14-8-11-5-7-16-9-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyGZFZAXUEYYVHGZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds7

About N-butyl-2-(thiolan-3-ylmethylamino)propanamide

N-butyl-2-(thiolan-3-ylmethylamino)propanamide (PubChem CID 107295770) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-butyl-2-(thiolan-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(thiolan-3-ylmethylamino)propanamide
PubChem CID107295770
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-butyl-2-(thiolan-3-ylmethylamino)propanamide
SMILESCCCCNC(=O)C(C)NCC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-3-4-6-13-12(15)10(2)14-8-11-5-7-16-9-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyGZFZAXUEYYVHGZ-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

ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403
2-(2-cyclopropylpropylamino)-N-pentylpropanamide
CID 115591539
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(thiolan-3-ylmethylamino)propanamide?
The IUPAC name of N-butyl-2-(thiolan-3-ylmethylamino)propanamide (CID 107295770) is N-butyl-2-(thiolan-3-ylmethylamino)propanamide.
What is the SMILES notation for N-butyl-2-(thiolan-3-ylmethylamino)propanamide?
The canonical SMILES for N-butyl-2-(thiolan-3-ylmethylamino)propanamide is CCCCNC(=O)C(C)NCC1CCSC1.
What is the InChIKey of N-butyl-2-(thiolan-3-ylmethylamino)propanamide?
The InChIKey is GZFZAXUEYYVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-4-6-13-12(15)10(2)14-8-11-5-7-16-9-11/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-2-(thiolan-3-ylmethylamino)propanamide?
N-butyl-2-(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-butyl-2-(thiolan-3-ylmethylamino)propanamide is sourced from PubChem (CID 107295770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).