tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate

C11H24N2O4S — CID 63788881

IUPACtert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
SMILESCCN(CCCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-6-13(18(5,15)16)9-7-8-12-10(14)17-11(2,3)4/h6-9H2,1-5H3,(H,12,14)
InChIKeyITVWFELQYUBMDC-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.18
Rot. Bonds6

About tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate

tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate (PubChem CID 63788881) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
PubChem CID63788881
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nametert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
SMILESCCN(CCCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-6-13(18(5,15)16)9-7-8-12-10(14)17-11(2,3)4/h6-9H2,1-5H3,(H,12,14)
InChIKeyITVWFELQYUBMDC-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
CID 119299946
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-butylcarbamate;methane
CID 153346289
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
3-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 71722610
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592
tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate
CID 177165259
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate (CID 63788881) is tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate is CCN(CCCNC(=O)OC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate?
The InChIKey is ITVWFELQYUBMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-6-13(18(5,15)16)9-7-8-12-10(14)17-11(2,3)4/h6-9H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate?
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate has a molecular weight of 280.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate is sourced from PubChem (CID 63788881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).