1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C10H21N3O3S — CID 77017132

IUPAC1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)S(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C10H21N3O3S/c1-9(2,3)17(15,16)13-10(8(11)12-14)6-4-5-7-10/h13-14H,4-7H2,1-3H3,(H2,11,12)
InChIKeyTXDJKJDIXSVELO-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.76
Rot. Bonds3

About 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77017132) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77017132
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)S(=O)(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C10H21N3O3S/c1-9(2,3)17(15,16)13-10(8(11)12-14)6-4-5-7-10/h13-14H,4-7H2,1-3H3,(H2,11,12)
InChIKeyTXDJKJDIXSVELO-UHFFFAOYSA-N
XLogP0.76
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83058245
N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclopentane-1-carboximidamide
CID 55014542
1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 55233416
N'-hydroxy-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboximidamide
CID 55261691
1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 63246768
1-(3-Methylbutylsulfonylamino)cyclopentane-1-carboximidamide
CID 64405622
1-(Ethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64405830
1-(Propan-2-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 64406663
1-(Tert-butylsulfonylamino)cyclopentane-1-carboximidamide
CID 64408744
1-(Propylsulfonylamino)cyclopentane-1-carboximidamide
CID 64408746
1-(Butylsulfonylamino)cyclopentane-1-carboximidamide
CID 64408747
1-(2,2-Dimethylpropylsulfonylamino)cyclopentane-1-carboximidamide
CID 64479887

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 77017132) is 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is CC(C)(C)S(=O)(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is TXDJKJDIXSVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(2,3)17(15,16)13-10(8(11)12-14)6-4-5-7-10/h13-14H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 263.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77017132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).