N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide

C15H29N3OS — CID 103495779

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide
SMILESCC(C)C1CCN(CCC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C15H29N3OS/c1-12(2)13-4-9-18(10-5-13)11-7-15(19)17(3)8-6-14(16)20/h12-13H,4-11H2,1-3H3,(H2,16,20)
InChIKeyFZUHWSMSPFFNCR-UHFFFAOYSA-N
MW299.48 g/mol
LogP1.88
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide (PubChem CID 103495779) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide
PubChem CID103495779
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide
SMILESCC(C)C1CCN(CCC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C15H29N3OS/c1-12(2)13-4-9-18(10-5-13)11-7-15(19)17(3)8-6-14(16)20/h12-13H,4-11H2,1-3H3,(H2,16,20)
InChIKeyFZUHWSMSPFFNCR-UHFFFAOYSA-N
XLogP1.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Oxo-3-piperidin-1-ylpropanethioamide
CID 2771374
1-Acetylpiperidine-3-carbothioamide
CID 64444251
3-Amino-1-(3-methylpiperidin-1-yl)propan-1-one
CID 16791721
2-Methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65536286
2-[3-(Trifluoromethyl)piperidine-1-carbonyl]pentanethioamide
CID 65536478
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 65537012
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 65537395
3-Oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65537442
2-Ethyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanethioamide
CID 65537635
2,2-Dimethyl-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65537639
3-Methyl-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanethioamide
CID 65537835
3-Oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65538026

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide (CID 103495779) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide is CC(C)C1CCN(CCC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide?
The InChIKey is FZUHWSMSPFFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-12(2)13-4-9-18(10-5-13)11-7-15(19)17(3)8-6-14(16)20/h12-13H,4-11H2,1-3H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide has a molecular weight of 299.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 103495779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).