1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea

C17H34N4O5S2 — CID 134126316

IUPAC1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
SMILESCCCC1CCN(S(=O)(=O)NC(=O)NS(=O)(=O)N2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H34N4O5S2/c1-3-5-15-7-11-20(12-8-15)27(23,24)18-17(22)19-28(25,26)21-13-9-16(6-4-2)10-14-21/h15-16H,3-14H2,1-2H3,(H2,18,19,22)
InChIKeyDKJZZQHNNVDBRC-UHFFFAOYSA-N
MW438.62 g/mol
LogP1.80
Rot. Bonds8

About 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea

1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea (PubChem CID 134126316) has the molecular formula C17H34N4O5S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea.

Molecular Properties

Compound Name1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
PubChem CID134126316
Molecular FormulaC17H34N4O5S2
Molecular Weight438.62 g/mol
Exact Mass438.20
IUPAC Name1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
SMILESCCCC1CCN(S(=O)(=O)NC(=O)NS(=O)(=O)N2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H34N4O5S2/c1-3-5-15-7-11-20(12-8-15)27(23,24)18-17(22)19-28(25,26)21-13-9-16(6-4-2)10-14-21/h15-16H,3-14H2,1-2H3,(H2,18,19,22)
InChIKeyDKJZZQHNNVDBRC-UHFFFAOYSA-N
XLogP1.80
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
CID 62206118
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
1-(4-propylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 62199444
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929200
methyl 2-[1-(ethylsulfamoyl)piperidin-4-yl]acetate
CID 58553182
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746
3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62205964

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea?
The IUPAC name of 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea (CID 134126316) is 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea.
What is the SMILES notation for 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea?
The canonical SMILES for 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea is CCCC1CCN(S(=O)(=O)NC(=O)NS(=O)(=O)N2CCC(CCC)CC2)CC1.
What is the InChIKey of 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea?
The InChIKey is DKJZZQHNNVDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O5S2/c1-3-5-15-7-11-20(12-8-15)27(23,24)18-17(22)19-28(25,26)21-13-9-16(6-4-2)10-14-21/h15-16H,3-14H2,1-2H3,(H2,18,19,22).
What are the key properties of 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea?
1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea has a molecular weight of 438.62 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea is sourced from PubChem (CID 134126316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).