5-tert-butylsulfonyl-4-methylpentan-1-amine

C10H23NO2S — CID 87931472

IUPAC5-tert-butylsulfonyl-4-methylpentan-1-amine
SMILESCC(CCCN)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(6-5-7-11)8-14(12,13)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyRSFBJPUHMGDTKK-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.57
Rot. Bonds5

About 5-tert-butylsulfonyl-4-methylpentan-1-amine

5-tert-butylsulfonyl-4-methylpentan-1-amine (PubChem CID 87931472) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-4-methylpentan-1-amine
PubChem CID87931472
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name5-tert-butylsulfonyl-4-methylpentan-1-amine
SMILESCC(CCCN)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(6-5-7-11)8-14(12,13)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyRSFBJPUHMGDTKK-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552
9-amino-2,6-dimethylnonan-2-ol
CID 55254540
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
4,7-dimethyloctan-1-amine
CID 123439711
4-methylheptan-1-amine
CID 18618988
3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386
7-amino-4-methylheptanoic acid
CID 57310581
2-[(4-amino-1-hydroxybutyl)amino]-2-methylpropane-1,3-diol
CID 129181186

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-4-methylpentan-1-amine?
The IUPAC name of 5-tert-butylsulfonyl-4-methylpentan-1-amine (CID 87931472) is 5-tert-butylsulfonyl-4-methylpentan-1-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-4-methylpentan-1-amine?
The canonical SMILES for 5-tert-butylsulfonyl-4-methylpentan-1-amine is CC(CCCN)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-tert-butylsulfonyl-4-methylpentan-1-amine?
The InChIKey is RSFBJPUHMGDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(6-5-7-11)8-14(12,13)10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 5-tert-butylsulfonyl-4-methylpentan-1-amine?
5-tert-butylsulfonyl-4-methylpentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-4-methylpentan-1-amine is sourced from PubChem (CID 87931472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).