N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide

C16H34N2O4S2 — CID 12991224

IUPACN-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCC(CCNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C16H34N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyRJTYOGZLWABSOR-UHFFFAOYSA-N
MW382.59 g/mol
LogP2.23
Rot. Bonds10

About N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide

N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide (PubChem CID 12991224) has the molecular formula C16H34N2O4S2 and a molecular weight of 382.59 g/mol. Its IUPAC name is N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide
PubChem CID12991224
Molecular FormulaC16H34N2O4S2
Molecular Weight382.59 g/mol
Exact Mass382.20
IUPAC NameN-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCC(CCNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C16H34N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyRJTYOGZLWABSOR-UHFFFAOYSA-N
XLogP2.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide (CID 12991224) is N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC1CCC(CCNS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide?
The InChIKey is RJTYOGZLWABSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide?
N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide has a molecular weight of 382.59 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]cyclohexyl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 12991224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).