N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide

C10H20N2OS — CID 60842926

IUPACN-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
SMILESCNCCCC(=O)N(C)C1CCSC1
InChIInChI=1S/C10H20N2OS/c1-11-6-3-4-10(13)12(2)9-5-7-14-8-9/h9,11H,3-8H2,1-2H3
InChIKeyMMGCNYPZSQHEKM-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds5

About N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide

N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide (PubChem CID 60842926) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
PubChem CID60842926
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
SMILESCNCCCC(=O)N(C)C1CCSC1
InChIInChI=1S/C10H20N2OS/c1-11-6-3-4-10(13)12(2)9-5-7-14-8-9/h9,11H,3-8H2,1-2H3
InChIKeyMMGCNYPZSQHEKM-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
N-[(3S)-2-oxothiolan-3-yl]butanamide
CID 40610542
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
CID 57217
N-[2-(Acetylsulfanyl)ethyl]-4-aminobutanimidic acid--hydrogen bromide (1/1)
CID 49796293
(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
CID 56672999
(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-one
CID 56666095
(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one
CID 56673000
1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 71969178
2-Amino-4-(methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one hydrochloride
CID 119261736
(r)-4-Acetylthio-2-pyrrolidinone
CID 10313245
3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 134840045
N-methyl-2-[2-(methylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 121519531

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide (CID 60842926) is N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide is CNCCCC(=O)N(C)C1CCSC1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide?
The InChIKey is MMGCNYPZSQHEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-11-6-3-4-10(13)12(2)9-5-7-14-8-9/h9,11H,3-8H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide?
N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide has a molecular weight of 216.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 60842926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).