3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide

C11H20N2OS — CID 107296077

IUPAC3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCC1CCSC1)C1CC1
InChIInChI=1S/C11H20N2OS/c12-10(9-1-2-9)5-11(14)13-6-8-3-4-15-7-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyPJRDSWRUBLROGD-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.98
Rot. Bonds5

About 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide

3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide (PubChem CID 107296077) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
PubChem CID107296077
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCC1CCSC1)C1CC1
InChIInChI=1S/C11H20N2OS/c12-10(9-1-2-9)5-11(14)13-6-8-3-4-15-7-8/h8-10H,1-7,12H2,(H,13,14)
InChIKeyPJRDSWRUBLROGD-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
CID 107298400
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
CID 107296276

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide (CID 107296077) is 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide is NC(CC(=O)NCC1CCSC1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide?
The InChIKey is PJRDSWRUBLROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c12-10(9-1-2-9)5-11(14)13-6-8-3-4-15-7-8/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide?
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide has a molecular weight of 228.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide is sourced from PubChem (CID 107296077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).