N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide

C8H17N3OS — CID 107296459

IUPACN'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
SMILESNC(CCNCC1CCSC1)=NO
InChIInChI=1S/C8H17N3OS/c9-8(11-12)1-3-10-5-7-2-4-13-6-7/h7,10,12H,1-6H2,(H2,9,11)
InChIKeyDQTCCGGUEVQFQW-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.47
Rot. Bonds5

About N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide

N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide (PubChem CID 107296459) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
PubChem CID107296459
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
SMILESNC(CCNCC1CCSC1)=NO
InChIInChI=1S/C8H17N3OS/c9-8(11-12)1-3-10-5-7-2-4-13-6-7/h7,10,12H,1-6H2,(H2,9,11)
InChIKeyDQTCCGGUEVQFQW-UHFFFAOYSA-N
XLogP0.47
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

3,3,3-trifluoro-N'-hydroxy-2-[(thiolan-2-ylmethylamino)methyl]propanimidamide
CID 103370008
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanimidamide
CID 113808037
3,3,3-trifluoro-N'-hydroxy-2-[(thiolan-3-ylmethylamino)methyl]propanimidamide
CID 113942640
N'-hydroxy-2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
CID 43296699
N'-hydroxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]butanimidamide
CID 77027653
N'-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanimidamide
CID 77028477
N'-hydroxy-2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanimidamide
CID 77028478
N'-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]butanimidamide
CID 77028686
N'-hydroxy-5-[(2-methyl-3-methylsulfanylpropyl)amino]pentanimidamide
CID 77028689
N'-hydroxy-2-methyl-3-(3-methylsulfanylpropylamino)propanimidamide
CID 77029536
3-[(1,1-dioxothiolan-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77030597
3-[(1,1-dioxothiolan-3-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77030598

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide (CID 107296459) is N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide is NC(CCNCC1CCSC1)=NO.
What is the InChIKey of N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide?
The InChIKey is DQTCCGGUEVQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c9-8(11-12)1-3-10-5-7-2-4-13-6-7/h7,10,12H,1-6H2,(H2,9,11).
What are the key properties of N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide?
N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide is sourced from PubChem (CID 107296459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).