N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide

C12H24N2OS — CID 103062851

IUPACN-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-9(2)4-6-13-12(15)10(3)14-11-5-7-16-8-11/h9-11,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyWMGAYTQGNRJPHA-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds6

About N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide

N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide (PubChem CID 103062851) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide
PubChem CID103062851
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-9(2)4-6-13-12(15)10(3)14-11-5-7-16-8-11/h9-11,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyWMGAYTQGNRJPHA-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide (CID 103062851) is N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide is CC(C)CCNC(=O)C(C)NC1CCSC1.
What is the InChIKey of N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide?
The InChIKey is WMGAYTQGNRJPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)4-6-13-12(15)10(3)14-11-5-7-16-8-11/h9-11,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide?
N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide is sourced from PubChem (CID 103062851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).