tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate

C7H17N3O4S — CID 86657941

IUPACtert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(N)(=O)=O
InChIInChI=1S/C7H17N3O4S/c1-7(2,3)14-6(11)9-4-5-10-15(8,12)13/h10H,4-5H2,1-3H3,(H,9,11)(H2,8,12,13)
InChIKeyDYCUAXHBULVZRW-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.70
Rot. Bonds4

About tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate

tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate (PubChem CID 86657941) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
PubChem CID86657941
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Nametert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(N)(=O)=O
InChIInChI=1S/C7H17N3O4S/c1-7(2,3)14-6(11)9-4-5-10-15(8,12)13/h10H,4-5H2,1-3H3,(H,9,11)(H2,8,12,13)
InChIKeyDYCUAXHBULVZRW-UHFFFAOYSA-N
XLogP-0.70
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid
CID 114518058
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]propanoic acid
CID 114518059
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-(5-sulfamoylpentyl)carbamate
CID 166997835
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonic acid;hydrochloride
CID 165179141
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-[2-[(5-amino-2,4-difluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932750
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate
CID 15539257
tert-butyl N-[4-(methanesulfonamido)pentyl]carbamate
CID 87723579

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate (CID 86657941) is tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNS(N)(=O)=O.
What is the InChIKey of tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate?
The InChIKey is DYCUAXHBULVZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-7(2,3)14-6(11)9-4-5-10-15(8,12)13/h10H,4-5H2,1-3H3,(H,9,11)(H2,8,12,13).
What are the key properties of tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate?
tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate has a molecular weight of 239.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate is sourced from PubChem (CID 86657941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).