3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide

C11H21N3OS — CID 62993392

IUPAC3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)NCCCN1CCCC1)C(N)=S
InChIInChI=1S/C11H21N3OS/c1-9(10(12)16)11(15)13-5-4-8-14-6-2-3-7-14/h9H,2-8H2,1H3,(H2,12,16)(H,13,15)
InChIKeyKAQADMIKNQZQLC-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.51
Rot. Bonds6

About 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide

3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide (PubChem CID 62993392) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
PubChem CID62993392
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)NCCCN1CCCC1)C(N)=S
InChIInChI=1S/C11H21N3OS/c1-9(10(12)16)11(15)13-5-4-8-14-6-2-3-7-14/h9H,2-8H2,1H3,(H2,12,16)(H,13,15)
InChIKeyKAQADMIKNQZQLC-UHFFFAOYSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
CID 63004736
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide (CID 62993392) is 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide is CC(C(=O)NCCCN1CCCC1)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide?
The InChIKey is KAQADMIKNQZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(10(12)16)11(15)13-5-4-8-14-6-2-3-7-14/h9H,2-8H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide?
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide has a molecular weight of 243.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 62993392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).