tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate

C15H23N3O4S — CID 134106785

IUPACtert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate
SMILESCC(C)(C)OC(=O)NNS(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)16-18-23(20,21)17-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,17-18H,6,8,10H2,1-3H3,(H,16,19)
InChIKeyFHJDDQLSHZXXJV-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate

tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate (PubChem CID 134106785) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate
PubChem CID134106785
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nametert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate
SMILESCC(C)(C)OC(=O)NNS(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)16-18-23(20,21)17-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,17-18H,6,8,10H2,1-3H3,(H,16,19)
InChIKeyFHJDDQLSHZXXJV-UHFFFAOYSA-N
XLogP1.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
CID 107250366
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
CID 43726017
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
tert-butyl N-[[3,3-dimethyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoylamino]carbamate
CID 59415533
tert-butyl (2R)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 8927006
methyl 1-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylmethyl)cyclopropane-1-carboxylate
CID 126823488

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate?
The IUPAC name of tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate (CID 134106785) is tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate?
The canonical SMILES for tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate is CC(C)(C)OC(=O)NNS(=O)(=O)NC1CCCc2ccccc21.
What is the InChIKey of tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate?
The InChIKey is FHJDDQLSHZXXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(19)16-18-23(20,21)17-13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,17-18H,6,8,10H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate?
tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate has a molecular weight of 341.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate is sourced from PubChem (CID 134106785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).