2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide

C10H20N2OS — CID 119511742

IUPAC2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCCSCC(=O)NCC1CCCN1
InChIInChI=1S/C10H20N2OS/c1-2-6-14-8-10(13)12-7-9-4-3-5-11-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyALDFZXPOMNFAGI-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds6

About 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide

2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119511742) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119511742
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCCSCC(=O)NCC1CCCN1
InChIInChI=1S/C10H20N2OS/c1-2-6-14-8-10(13)12-7-9-4-3-5-11-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyALDFZXPOMNFAGI-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513465
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
(2S)-2-(propylsulfanylmethyl)pyrrolidine
CID 102820309
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
2-(4-tert-butylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511892

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119511742) is 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide is CCCSCC(=O)NCC1CCCN1.
What is the InChIKey of 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is ALDFZXPOMNFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-6-14-8-10(13)12-7-9-4-3-5-11-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119511742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).