N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide

C15H26N6O3S — CID 91830886

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H26N6O3S/c1-12-17-18-19-21(12)9-4-15(22)16-13-2-7-20(8-3-13)14-5-10-25(23,24)11-6-14/h13-14H,2-11H2,1H3,(H,16,22)
InChIKeyNYXNERKOTVKKLM-UHFFFAOYSA-N
MW370.48 g/mol
LogP-0.47
Rot. Bonds5

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 91830886) has the molecular formula C15H26N6O3S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID91830886
Molecular FormulaC15H26N6O3S
Molecular Weight370.48 g/mol
Exact Mass370.18
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H26N6O3S/c1-12-17-18-19-21(12)9-4-15(22)16-13-2-7-20(8-3-13)14-5-10-25(23,24)11-6-14/h13-14H,2-11H2,1H3,(H,16,22)
InChIKeyNYXNERKOTVKKLM-UHFFFAOYSA-N
XLogP-0.47
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91779821
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(2-ethylimidazol-1-yl)propanamide;formic acid
CID 154912721
N-(1,1-dioxothian-4-yl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 72874641
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 91773911
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 155496961
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(5-methyltetrazol-1-yl)propanamide;formic acid
CID 155972821
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-4-(1,2,4-triazol-1-yl)butanamide;formic acid
CID 154910337
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 118771156
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide
CID 155492536
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 91769459
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 91761634

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide (CID 91830886) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is NYXNERKOTVKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O3S/c1-12-17-18-19-21(12)9-4-15(22)16-13-2-7-20(8-3-13)14-5-10-25(23,24)11-6-14/h13-14H,2-11H2,1H3,(H,16,22).
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 370.48 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 91830886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).