3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide

C9H18N2OS — CID 80737620

IUPAC3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCN)CCCS1
InChIInChI=1S/C9H18N2OS/c1-9(4-2-6-13-9)7-11-8(12)3-5-10/h2-7,10H2,1H3,(H,11,12)
InChIKeyCAPJOLAWAGRBPF-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds4

About 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide

3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide (PubChem CID 80737620) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
PubChem CID80737620
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCN)CCCS1
InChIInChI=1S/C9H18N2OS/c1-9(4-2-6-13-9)7-11-8(12)3-5-10/h2-7,10H2,1H3,(H,11,12)
InChIKeyCAPJOLAWAGRBPF-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
CID 120563633
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxane-4-carboxamide
CID 113310160
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032910
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736654
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
2,2,2-trifluoroethyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 80528058
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide (CID 80737620) is 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide is CC1(CNC(=O)CCN)CCCS1.
What is the InChIKey of 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The InChIKey is CAPJOLAWAGRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-9(4-2-6-13-9)7-11-8(12)3-5-10/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide?
3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide is sourced from PubChem (CID 80737620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).