N-tert-butyl-5-ethylsulfonylpentan-1-amine

C11H25NO2S — CID 65097015

IUPACN-tert-butyl-5-ethylsulfonylpentan-1-amine
SMILESCCS(=O)(=O)CCCCCNC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-5-15(13,14)10-8-6-7-9-12-11(2,3)4/h12H,5-10H2,1-4H3
InChIKeyNOKVJMBVLZNLMZ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.98
Rot. Bonds7

About N-tert-butyl-5-ethylsulfonylpentan-1-amine

N-tert-butyl-5-ethylsulfonylpentan-1-amine (PubChem CID 65097015) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-tert-butyl-5-ethylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethylsulfonylpentan-1-amine
PubChem CID65097015
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-5-ethylsulfonylpentan-1-amine
SMILESCCS(=O)(=O)CCCCCNC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-5-15(13,14)10-8-6-7-9-12-11(2,3)4/h12H,5-10H2,1-4H3
InChIKeyNOKVJMBVLZNLMZ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylamino)butane-1-sulfonic acid
CID 11264273
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
4-butan-2-ylsulfonyl-N-tert-butylbutan-1-amine
CID 106512726
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
(E)-N-tert-butyl-6-ethylsulfonylhex-3-en-1-amine
CID 106735088
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
CID 163499248
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
CID 87664678
CID 87664678
1-chloro-N-(3-ethylsulfonylpropyl)-2-methylbutan-2-amine
CID 65096930

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethylsulfonylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-ethylsulfonylpentan-1-amine (CID 65097015) is N-tert-butyl-5-ethylsulfonylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-ethylsulfonylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-ethylsulfonylpentan-1-amine is CCS(=O)(=O)CCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-ethylsulfonylpentan-1-amine?
The InChIKey is NOKVJMBVLZNLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-15(13,14)10-8-6-7-9-12-11(2,3)4/h12H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-5-ethylsulfonylpentan-1-amine?
N-tert-butyl-5-ethylsulfonylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethylsulfonylpentan-1-amine is sourced from PubChem (CID 65097015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).