1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine

C15H21N3O4S — CID 133348599

IUPAC1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H21N3O4S/c1-11-10-13(18(19)20)2-5-15(11)16-12-6-8-17(9-7-12)23(21,22)14-3-4-14/h2,5,10,12,14,16H,3-4,6-9H2,1H3
InChIKeyQPLZYWIBYVKOPS-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.27
Rot. Bonds5

About 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine

1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine (PubChem CID 133348599) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
PubChem CID133348599
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H21N3O4S/c1-11-10-13(18(19)20)2-5-15(11)16-12-6-8-17(9-7-12)23(21,22)14-3-4-14/h2,5,10,12,14,16H,3-4,6-9H2,1H3
InChIKeyQPLZYWIBYVKOPS-UHFFFAOYSA-N
XLogP2.27
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-(2-methyl-4-nitrophenyl)-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 71865369
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-[2-(difluoromethoxy)-4-nitrophenyl]-1-ethylsulfonylpiperidin-4-amine
CID 133468119
2-methyl-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 43628754
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 114504643

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine (CID 133348599) is 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine is Cc1cc([N+](=O)[O-])ccc1NC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
The InChIKey is QPLZYWIBYVKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-10-13(18(19)20)2-5-15(11)16-12-6-8-17(9-7-12)23(21,22)14-3-4-14/h2,5,10,12,14,16H,3-4,6-9H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine?
1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 133348599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).