5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide

C16H36N2O4S — CID 163499248

IUPAC5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
SMILESCCCOCCOCCNS(=O)(=O)CCCCCNC(C)(C)C
InChIInChI=1S/C16H36N2O4S/c1-5-11-21-13-14-22-12-10-18-23(19,20)15-8-6-7-9-17-16(2,3)4/h17-18H,5-15H2,1-4H3
InChIKeyGZCLJWNXHSNQDU-UHFFFAOYSA-N
MW352.54 g/mol
LogP1.91
Rot. Bonds15

About 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide

5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide (PubChem CID 163499248) has the molecular formula C16H36N2O4S and a molecular weight of 352.54 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
PubChem CID163499248
Molecular FormulaC16H36N2O4S
Molecular Weight352.54 g/mol
Exact Mass352.24
IUPAC Name5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
SMILESCCCOCCOCCNS(=O)(=O)CCCCCNC(C)(C)C
InChIInChI=1S/C16H36N2O4S/c1-5-11-21-13-14-22-12-10-18-23(19,20)15-8-6-7-9-17-16(2,3)4/h17-18H,5-15H2,1-4H3
InChIKeyGZCLJWNXHSNQDU-UHFFFAOYSA-N
XLogP1.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955
N-tert-butyl-5-ethylsulfonylpentan-1-amine
CID 65097015
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
N-decylbutane-1-sulfonamide
CID 19681427
4-(tert-butylamino)butane-1-sulfonic acid
CID 11264273
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide (CID 163499248) is 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide is CCCOCCOCCNS(=O)(=O)CCCCCNC(C)(C)C.
What is the InChIKey of 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide?
The InChIKey is GZCLJWNXHSNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O4S/c1-5-11-21-13-14-22-12-10-18-23(19,20)15-8-6-7-9-17-16(2,3)4/h17-18H,5-15H2,1-4H3.
What are the key properties of 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide?
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide has a molecular weight of 352.54 g/mol, XLogP of 1.91, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 163499248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).