4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide

C10H20N2OS — CID 81070662

IUPAC4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
SMILESCC(CN)CC(=O)N(C)C1CCSC1
InChIInChI=1S/C10H20N2OS/c1-8(6-11)5-10(13)12(2)9-3-4-14-7-9/h8-9H,3-7,11H2,1-2H3
InChIKeyRYUZFPJLWGEUIN-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds4

About 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide

4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide (PubChem CID 81070662) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
PubChem CID81070662
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
SMILESCC(CN)CC(=O)N(C)C1CCSC1
InChIInChI=1S/C10H20N2OS/c1-8(6-11)5-10(13)12(2)9-3-4-14-7-9/h8-9H,3-7,11H2,1-2H3
InChIKeyRYUZFPJLWGEUIN-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
CID 65225799
2-amino-N-methyl-N-(thian-4-yl)acetamide
CID 121203600
3-chloro-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 62726788
1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 115452254
3-methyl-5-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62966387
N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
CID 60842926
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide (CID 81070662) is 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide is CC(CN)CC(=O)N(C)C1CCSC1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide?
The InChIKey is RYUZFPJLWGEUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(6-11)5-10(13)12(2)9-3-4-14-7-9/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide?
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide has a molecular weight of 216.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 81070662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).