N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide

C12H23N3O3S — CID 63924147

IUPACN-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NC1CCCS(=O)(=O)C1)N1CCNCC1
InChIInChI=1S/C12H23N3O3S/c1-10(15-6-4-13-5-7-15)12(16)14-11-3-2-8-19(17,18)9-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyYCGQHSRECRJXQE-UHFFFAOYSA-N
MW289.40 g/mol
LogP-1.03
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide

N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide (PubChem CID 63924147) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
PubChem CID63924147
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NC1CCCS(=O)(=O)C1)N1CCNCC1
InChIInChI=1S/C12H23N3O3S/c1-10(15-6-4-13-5-7-15)12(16)14-11-3-2-8-19(17,18)9-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyYCGQHSRECRJXQE-UHFFFAOYSA-N
XLogP-1.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
CID 96547556
N-[(1,1-dioxothiolan-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 62131979
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide (CID 63924147) is N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide is CC(C(=O)NC1CCCS(=O)(=O)C1)N1CCNCC1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide?
The InChIKey is YCGQHSRECRJXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-10(15-6-4-13-5-7-15)12(16)14-11-3-2-8-19(17,18)9-11/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide?
N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide has a molecular weight of 289.40 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 63924147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).