N-methyl-N-(thiolan-3-yl)propanamide

C8H15NOS — CID 64591456

IUPACN-methyl-N-(thiolan-3-yl)propanamide
SMILESCCC(=O)N(C)C1CCSC1
InChIInChI=1S/C8H15NOS/c1-3-8(10)9(2)7-4-5-11-6-7/h7H,3-6H2,1-2H3
InChIKeyKUPFBQMSXSRKLL-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.36
Rot. Bonds2

About N-methyl-N-(thiolan-3-yl)propanamide

N-methyl-N-(thiolan-3-yl)propanamide (PubChem CID 64591456) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-yl)propanamide
PubChem CID64591456
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-methyl-N-(thiolan-3-yl)propanamide
SMILESCCC(=O)N(C)C1CCSC1
InChIInChI=1S/C8H15NOS/c1-3-8(10)9(2)7-4-5-11-6-7/h7H,3-6H2,1-2H3
InChIKeyKUPFBQMSXSRKLL-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 81070662
2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 61198741
N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
CID 60842926
2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 54978899
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 103429486
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
2-amino-N-methyl-N-(thian-4-yl)acetamide
CID 121203600
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990
methyl 2-[methyl(thiolan-3-yl)amino]-2-oxoacetate
CID 112616550
3-chloro-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 62726788
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
CID 65225799

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of N-methyl-N-(thiolan-3-yl)propanamide (CID 64591456) is N-methyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for N-methyl-N-(thiolan-3-yl)propanamide is CCC(=O)N(C)C1CCSC1.
What is the InChIKey of N-methyl-N-(thiolan-3-yl)propanamide?
The InChIKey is KUPFBQMSXSRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-3-8(10)9(2)7-4-5-11-6-7/h7H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(thiolan-3-yl)propanamide?
N-methyl-N-(thiolan-3-yl)propanamide has a molecular weight of 173.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 64591456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).