N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H21NOS2 — CID 107032910

IUPACN-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1(CNC(=O)CC2(CS)CC2)CCCS1
InChIInChI=1S/C12H21NOS2/c1-11(3-2-6-16-11)8-13-10(14)7-12(9-15)4-5-12/h15H,2-9H2,1H3,(H,13,14)
InChIKeyNBVCGWQPVLFSEB-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.49
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107032910) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107032910
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1(CNC(=O)CC2(CS)CC2)CCCS1
InChIInChI=1S/C12H21NOS2/c1-11(3-2-6-16-11)8-13-10(14)7-12(9-15)4-5-12/h15H,2-9H2,1H3,(H,13,14)
InChIKeyNBVCGWQPVLFSEB-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
CID 80737620
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
CID 120563633
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736660
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485
3-methyl-5-[(2-methylthiolan-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 80737142
2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736654
(2S)-3-hydroxy-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]propanoic acid
CID 80744506

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107032910) is N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC1(CNC(=O)CC2(CS)CC2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is NBVCGWQPVLFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-11(3-2-6-16-11)8-13-10(14)7-12(9-15)4-5-12/h15H,2-9H2,1H3,(H,13,14).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 259.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107032910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).