N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide

C18H27N3O3S — CID 9268561

IUPACN-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H27N3O3S/c1-18(2,3)19-17(22)20-9-11-21(12-10-20)25(23,24)16-8-7-14-5-4-6-15(14)13-16/h7-8,13H,4-6,9-12H2,1-3H3,(H,19,22)
InChIKeyMCKNUPPRWOACBL-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.99
Rot. Bonds2

About N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide

N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide (PubChem CID 9268561) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide
PubChem CID9268561
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H27N3O3S/c1-18(2,3)19-17(22)20-9-11-21(12-10-20)25(23,24)16-8-7-14-5-4-6-15(14)13-16/h7-8,13H,4-6,9-12H2,1-3H3,(H,19,22)
InChIKeyMCKNUPPRWOACBL-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glyhexamide
CID 9953
1-[(2,3-Dihydro-1H-inden-5-yl)sulfonyl]piperazine
CID 2443018
4-[(3,4-dimethylphenyl)sulfonyl]-N,N-diethyl-1-piperazinecarboxamide
CID 2147526
4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
CID 969555
N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
CID 1094973
4-[(3,4-dimethylphenyl)sulfonyl]-N-propyl-1-piperazinecarboxamide
CID 2225304
4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 2545623
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea
CID 14763088
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 45800162
3-Ethyl-N~1~-methyl-3-[4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)piperazino]-1-pyrrolidinecarboxamide
CID 53194179
(4-((3,4-Dimethylphenyl)sulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
CID 15943566
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-N'-(tetrahydrofuran-2-ylmethyl)urea
CID 46381911

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide (CID 9268561) is N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide?
The InChIKey is MCKNUPPRWOACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-18(2,3)19-17(22)20-9-11-21(12-10-20)25(23,24)16-8-7-14-5-4-6-15(14)13-16/h7-8,13H,4-6,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide?
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide is sourced from PubChem (CID 9268561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).