N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide

C12H23N5OS — CID 54419978

IUPACN,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCCCN(CCCC)C(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C12H23N5OS/c1-3-5-8-16(9-6-4-2)11(18)7-10-17-12(19)13-14-15-17/h3-10H2,1-2H3,(H,13,15,19)
InChIKeyWACNSJLWTMSPEC-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.15
Rot. Bonds9

About N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide

N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (PubChem CID 54419978) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
PubChem CID54419978
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC NameN,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide
SMILESCCCCN(CCCC)C(=O)CCn1[nH]nnc1=S
InChIInChI=1S/C12H23N5OS/c1-3-5-8-16(9-6-4-2)11(18)7-10-17-12(19)13-14-15-17/h3-10H2,1-2H3,(H,13,15,19)
InChIKeyWACNSJLWTMSPEC-UHFFFAOYSA-N
XLogP2.15
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 15765992
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CID 21063387
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CID 53690171
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CID 54205383
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CID 54289772
CID 54289772
CID 54532906
CID 54532906
CID 54565240
CID 54565240
CID 70417144
CID 70417144
CID 161958787
CID 161958787
CID 170761875
CID 170761875
CID 61862293
CID 61862293
CID 104435071
CID 104435071

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The IUPAC name of N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide (CID 54419978) is N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide.
What is the SMILES notation for N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The canonical SMILES for N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is CCCCN(CCCC)C(=O)CCn1[nH]nnc1=S.
What is the InChIKey of N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
The InChIKey is WACNSJLWTMSPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-3-5-8-16(9-6-4-2)11(18)7-10-17-12(19)13-14-15-17/h3-10H2,1-2H3,(H,13,15,19).
What are the key properties of N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide?
N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide has a molecular weight of 285.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(5-sulfanylidene-2H-tetrazol-1-yl)propanamide is sourced from PubChem (CID 54419978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).